4-甲氧基苯甲醇
TL;DR: 4-甲氧基苯甲醇 (CAS 105-13-5) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲氧基苯甲醇
(4-methoxyphenyl)methanol
Also Known As: 4-METHOXYBENZYL ALCOHOL, Anise alcohol, (4-Methoxyphenyl)methanol, Anisyl alcohol, p-Anisyl alcohol
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 85.0 |
| Melting Point | 24 - 25 °C |
| Boiling Point | 259.00 to 260.00 °C. @ 760.00 mm Hg |
| Density | 1.107-1.115 |
| Solubility | 2 mg/mL at 20 °C |
| Vapor Pressure | 0.0038 [mmHg] |
| Refractive Index | 1.540-1.547 |
Chemical Identifiers
| CAS Number | 105-13-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CO |
| InChIKey | MSHFRERJPWKJFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲氧基苯甲醇 (CAS 105-13-5), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: (4-methoxyphenyl)methanol.
Chemical Property Profile of 4-甲氧基苯甲醇
Property Insights of 4-甲氧基苯甲醇
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲氧基苯甲醇. With a topological polar surface area (TPSA) of 29.5 Ų, 4-甲氧基苯甲醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲氧基苯甲醇 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 4-甲氧基苯甲醇?
The CAS number of 4-甲氧基苯甲醇 is 105-13-5.
What is the molecular formula of 4-甲氧基苯甲醇?
The molecular formula of 4-甲氧基苯甲醇 is C8H10O2.
What is the molecular weight of 4-甲氧基苯甲醇?
The molecular weight of 4-甲氧基苯甲醇 is 138.07 g/mol.
Where can I buy 4-甲氧基苯甲醇?
You can request a quote for 4-甲氧基苯甲醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲氧基苯甲醇?
Yes, KEHONG BIO provides custom synthesis services for 4-甲氧基苯甲醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.