(5-chloro-2-hydroxy-4-methylphenyl)-phenylmethanone

C14H11ClO2 — CID 555814

IUPAC(5-chloro-2-hydroxy-4-methylphenyl)-phenylmethanone
SMILESCc1cc(O)c(C(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C14H11ClO2/c1-9-7-13(16)11(8-12(9)15)14(17)10-5-3-2-4-6-10/h2-8,16H,1H3
InChIKeyIOGQACQRFGDUPT-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.59
Rot. Bonds2

About (5-chloro-2-hydroxy-4-methylphenyl)-phenylmethanone

(5-chloro-2-hydroxy-4-methylphenyl)-phenylmethanone (PubChem CID 555814) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is (5-chloro-2-hydroxy-4-methylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxy-4-methylphenyl)-phenylmethanone
PubChem CID555814
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name(5-chloro-2-hydroxy-4-methylphenyl)-phenylmethanone
SMILESCc1cc(O)c(C(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C14H11ClO2/c1-9-7-13(16)11(8-12(9)15)14(17)10-5-3-2-4-6-10/h2-8,16H,1H3
InChIKeyIOGQACQRFGDUPT-UHFFFAOYSA-N
XLogP3.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-chloro-2-hydroxy-4-methylphenyl)-phenylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxy-4-methylphenyl)-phenylmethanone?
The IUPAC name of (5-chloro-2-hydroxy-4-methylphenyl)-phenylmethanone (CID 555814) is (5-chloro-2-hydroxy-4-methylphenyl)-phenylmethanone.
What is the SMILES notation for (5-chloro-2-hydroxy-4-methylphenyl)-phenylmethanone?
The canonical SMILES for (5-chloro-2-hydroxy-4-methylphenyl)-phenylmethanone is Cc1cc(O)c(C(=O)c2ccccc2)cc1Cl.
What is the InChIKey of (5-chloro-2-hydroxy-4-methylphenyl)-phenylmethanone?
The InChIKey is IOGQACQRFGDUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c1-9-7-13(16)11(8-12(9)15)14(17)10-5-3-2-4-6-10/h2-8,16H,1H3.
What are the key properties of (5-chloro-2-hydroxy-4-methylphenyl)-phenylmethanone?
(5-chloro-2-hydroxy-4-methylphenyl)-phenylmethanone has a molecular weight of 246.69 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxy-4-methylphenyl)-phenylmethanone is sourced from PubChem (CID 555814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).