3-Methylcyclohexanol
TL;DR: 3-Methylcyclohexanol (CAS 591-23-1) is a chemical compound with molecular formula C7H14O and molecular weight 114.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylcyclohexan-1-ol
Also Known As: 3-METHYLCYCLOHEXANOL, 3-methylcyclohexan-1-ol, m-Methylcyclohexanol, Hexahydro-m-cresol, Cyclohexanol, 3-methyl-
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
| Melting Point | -5.5 °C (cis-isomer) |
| Boiling Point | 162.00 to 164.00 °C. @ 760.00 mm Hg |
| Density | Relative density (water = 1): 0.92 |
| Flash Point | 62 °C c.c. |
Chemical Identifiers
| CAS Number | 591-23-1 |
|---|---|
| SMILES | CC1CCCC(C1)O |
| InChIKey | HTSABYAWKQAHBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylcyclohexanol (CAS 591-23-1), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: 3-methylcyclohexan-1-ol.
Chemical Property Profile of 3-Methylcyclohexanol
Property Insights of 3-Methylcyclohexanol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylcyclohexanol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Methylcyclohexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylcyclohexanol has 1 hydrogen bond donor(s) and 1 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 3-Methylcyclohexanol?
The CAS number of 3-Methylcyclohexanol is 591-23-1.
What is the molecular formula of 3-Methylcyclohexanol?
The molecular formula of 3-Methylcyclohexanol is C7H14O.
What is the molecular weight of 3-Methylcyclohexanol?
The molecular weight of 3-Methylcyclohexanol is 114.10 g/mol.
Where can I buy 3-Methylcyclohexanol?
You can request a quote for 3-Methylcyclohexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylcyclohexanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylcyclohexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.