4-[(4-chlorophenyl)methyl]-2-methoxyphenol

C14H13ClO2 — CID 174578571

IUPAC4-[(4-chlorophenyl)methyl]-2-methoxyphenol
SMILESCOc1cc(Cc2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C14H13ClO2/c1-17-14-9-11(4-7-13(14)16)8-10-2-5-12(15)6-3-10/h2-7,9,16H,8H2,1H3
InChIKeyZHNGKKVQRDWVKO-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.64
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl]-2-methoxyphenol

4-[(4-chlorophenyl)methyl]-2-methoxyphenol (PubChem CID 174578571) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-methoxyphenol
PubChem CID174578571
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name4-[(4-chlorophenyl)methyl]-2-methoxyphenol
SMILESCOc1cc(Cc2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C14H13ClO2/c1-17-14-9-11(4-7-13(14)16)8-10-2-5-12(15)6-3-10/h2-7,9,16H,8H2,1H3
InChIKeyZHNGKKVQRDWVKO-UHFFFAOYSA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4-chlorophenyl)methyl]-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-4-(thiophen-3-ylmethyl)phenol
CID 175997325
1-[(4-chlorophenyl)methyl]-1-[(4-hydroxy-3-methoxyphenyl)methyl]thiourea
CID 87997315
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-(iodomethyl)-2-methoxyphenol
CID 15255516
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol
CID 174614895
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
(4-hydroxy-3-methoxyphenyl)methylazanium chloride
CID 11745412
4-[(5-chloro-6-methoxytriazin-4-yl)methyl]-2-methoxyphenol
CID 143041909
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-methoxyphenol (CID 174578571) is 4-[(4-chlorophenyl)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-methoxyphenol is COc1cc(Cc2ccc(Cl)cc2)ccc1O.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-methoxyphenol?
The InChIKey is ZHNGKKVQRDWVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-17-14-9-11(4-7-13(14)16)8-10-2-5-12(15)6-3-10/h2-7,9,16H,8H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-2-methoxyphenol?
4-[(4-chlorophenyl)methyl]-2-methoxyphenol has a molecular weight of 248.71 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-2-methoxyphenol is sourced from PubChem (CID 174578571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).