2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)-
TL;DR: 2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)- (CAS 41873-82-9) is a chemical compound with molecular formula C14H18O2 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(2-hydroxy-5-methylphenyl)hept-2-en-1-one
Also Known As: 2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)-, 1-(2-Hydroxy-5-methylphenyl)-2-hepten-1-one, 1-(2-hydroxy-5-methylphenyl)hept-2-en-1-one, (E)-1-(2-Hydroxy-5-methylphenyl)-2-hexen-1-one, (E)-1-(2-hydroxy-5-methylphenyl)hept-2-en-1-one
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 3.62972 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.13068 |
| Heavy Atoms | 16 |
| Complexity | 391.72186 |
Chemical Identifiers
| CAS Number | 41873-82-9 |
|---|---|
| SMILES | CCCC/C=C/C(=O)C1=C(C=CC(=C1)C)O |
Product Overview
2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)- (CAS 41873-82-9), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: (E)-1-(2-hydroxy-5-methylphenyl)hept-2-en-1-one.
Chemical Property Profile of 2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)-
Property Insights of 2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)-
The XLogP value of 3.62972 indicates that 2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)-?
The CAS number of 2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)- is 41873-82-9.
What is the molecular formula of 2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)-?
The molecular formula of 2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)- is C14H18O2.
What is the molecular weight of 2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)-?
The molecular weight of 2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)- is 218.13 g/mol.
Where can I buy 2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)-?
You can request a quote for 2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.