2-(3-chloro-2-methylphenyl)-4-methylphenol

C14H13ClO — CID 159941781

IUPAC2-(3-chloro-2-methylphenyl)-4-methylphenol
SMILESCc1ccc(O)c(-c2cccc(Cl)c2C)c1
InChIInChI=1S/C14H13ClO/c1-9-6-7-14(16)12(8-9)11-4-3-5-13(15)10(11)2/h3-8,16H,1-2H3
InChIKeyJDIRTHCLOCLJCN-UHFFFAOYSA-N
MW232.71 g/mol
LogP4.33
Rot. Bonds1

About 2-(3-chloro-2-methylphenyl)-4-methylphenol

2-(3-chloro-2-methylphenyl)-4-methylphenol (PubChem CID 159941781) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-(3-chloro-2-methylphenyl)-4-methylphenol.

Molecular Properties

Compound Name2-(3-chloro-2-methylphenyl)-4-methylphenol
PubChem CID159941781
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name2-(3-chloro-2-methylphenyl)-4-methylphenol
SMILESCc1ccc(O)c(-c2cccc(Cl)c2C)c1
InChIInChI=1S/C14H13ClO/c1-9-6-7-14(16)12(8-9)11-4-3-5-13(15)10(11)2/h3-8,16H,1-2H3
InChIKeyJDIRTHCLOCLJCN-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

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Related Compounds

2-(2-hydroxyphenyl)-4-methylphenol
CID 10035680
2-(2,4-dichlorophenyl)-4-methylphenol
CID 83130752
1-chloro-2-methyl-3-(4-methylphenyl)benzene
CID 164892944
2-(3-hydroxy-2-methylphenyl)benzene-1,4-diol
CID 101299744
2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol
CID 101179885
hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol
CID 159043640
4-chloro-2-(2,5-dimethylphenyl)phenol
CID 83130826
carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol
CID 154622877
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215
2-[2-(methoxymethyl)-3-phenylphenyl]-4-methylphenol
CID 146449279
2-(3-methylphenyl)phenol
CID 11206198
8-chloro-2-(2-hydroxy-5-methylphenyl)chromen-4-one
CID 146460462

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylphenyl)-4-methylphenol?
The IUPAC name of 2-(3-chloro-2-methylphenyl)-4-methylphenol (CID 159941781) is 2-(3-chloro-2-methylphenyl)-4-methylphenol.
What is the SMILES notation for 2-(3-chloro-2-methylphenyl)-4-methylphenol?
The canonical SMILES for 2-(3-chloro-2-methylphenyl)-4-methylphenol is Cc1ccc(O)c(-c2cccc(Cl)c2C)c1.
What is the InChIKey of 2-(3-chloro-2-methylphenyl)-4-methylphenol?
The InChIKey is JDIRTHCLOCLJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO/c1-9-6-7-14(16)12(8-9)11-4-3-5-13(15)10(11)2/h3-8,16H,1-2H3.
What are the key properties of 2-(3-chloro-2-methylphenyl)-4-methylphenol?
2-(3-chloro-2-methylphenyl)-4-methylphenol 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-(3-chloro-2-methylphenyl)-4-methylphenol is sourced from PubChem (CID 159941781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).