2-(4-chlorophenyl)-3,6-dimethylphenol

C14H13ClO — CID 102112254

IUPAC2-(4-chlorophenyl)-3,6-dimethylphenol
SMILESCc1ccc(C)c(-c2ccc(Cl)cc2)c1O
InChIInChI=1S/C14H13ClO/c1-9-3-4-10(2)14(16)13(9)11-5-7-12(15)8-6-11/h3-8,16H,1-2H3
InChIKeyZERDZDMTMZRIBZ-UHFFFAOYSA-N
MW232.71 g/mol
LogP4.33
Rot. Bonds1

About 2-(4-chlorophenyl)-3,6-dimethylphenol

2-(4-chlorophenyl)-3,6-dimethylphenol (PubChem CID 102112254) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3,6-dimethylphenol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3,6-dimethylphenol
PubChem CID102112254
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name2-(4-chlorophenyl)-3,6-dimethylphenol
SMILESCc1ccc(C)c(-c2ccc(Cl)cc2)c1O
InChIInChI=1S/C14H13ClO/c1-9-3-4-10(2)14(16)13(9)11-5-7-12(15)8-6-11/h3-8,16H,1-2H3
InChIKeyZERDZDMTMZRIBZ-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-chlorophenyl)-3,6-dimethylphenol 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

4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol
CID 101299442
2-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol
CID 101299706
4-(3-amino-2-chloro-6-methylphenyl)phenol
CID 174846171
3-hydroxy-4-methyl-2-(4-methylphenyl)benzaldehyde
CID 59582482
2-chloro-3,6-dimethylphenol;ethane
CID 144511181
2-amino-3-fluoro-6-methylphenol
CID 131278270
5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine
CID 13046106
4-(4-chlorophenyl)-2,5-dimethyl-1,3-benzothiazole
CID 174756251
2,4-dichloro-6-(3,4-dimethylphenyl)phenol
CID 82107036
2-(2-hydroxyphenyl)-3,6-dimethylphenol
CID 101298934
2-(4-chlorophenyl)-6-(3-hydroxy-3-methylbut-1-enyl)-3,5-dimethylbenzene-1,4-diol
CID 123216051
1-chloro-4-methylbenzene;zinc
CID 174694335

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3,6-dimethylphenol?
The IUPAC name of 2-(4-chlorophenyl)-3,6-dimethylphenol (CID 102112254) is 2-(4-chlorophenyl)-3,6-dimethylphenol.
What is the SMILES notation for 2-(4-chlorophenyl)-3,6-dimethylphenol?
The canonical SMILES for 2-(4-chlorophenyl)-3,6-dimethylphenol is Cc1ccc(C)c(-c2ccc(Cl)cc2)c1O.
What is the InChIKey of 2-(4-chlorophenyl)-3,6-dimethylphenol?
The InChIKey is ZERDZDMTMZRIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO/c1-9-3-4-10(2)14(16)13(9)11-5-7-12(15)8-6-11/h3-8,16H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3,6-dimethylphenol?
2-(4-chlorophenyl)-3,6-dimethylphenol has a molecular weight of 232.71 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3,6-dimethylphenol is sourced from PubChem (CID 102112254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).