[4-(2-chlorophenyl)-2-hydroxy-6-methylphenyl]-phenylmethanone

C20H15ClO2 — CID 138972087

IUPAC[4-(2-chlorophenyl)-2-hydroxy-6-methylphenyl]-phenylmethanone
SMILESCc1cc(-c2ccccc2Cl)cc(O)c1C(=O)c1ccccc1
InChIInChI=1S/C20H15ClO2/c1-13-11-15(16-9-5-6-10-17(16)21)12-18(22)19(13)20(23)14-7-3-2-4-8-14/h2-12,22H,1H3
InChIKeyGCIIMIWIOHEWLN-UHFFFAOYSA-N
MW322.79 g/mol
LogP5.25
Rot. Bonds3

About [4-(2-chlorophenyl)-2-hydroxy-6-methylphenyl]-phenylmethanone

[4-(2-chlorophenyl)-2-hydroxy-6-methylphenyl]-phenylmethanone (PubChem CID 138972087) has the molecular formula C20H15ClO2 and a molecular weight of 322.79 g/mol. Its IUPAC name is [4-(2-chlorophenyl)-2-hydroxy-6-methylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)-2-hydroxy-6-methylphenyl]-phenylmethanone
PubChem CID138972087
Molecular FormulaC20H15ClO2
Molecular Weight322.79 g/mol
Exact Mass322.08
IUPAC Name[4-(2-chlorophenyl)-2-hydroxy-6-methylphenyl]-phenylmethanone
SMILESCc1cc(-c2ccccc2Cl)cc(O)c1C(=O)c1ccccc1
InChIInChI=1S/C20H15ClO2/c1-13-11-15(16-9-5-6-10-17(16)21)12-18(22)19(13)20(23)14-7-3-2-4-8-14/h2-12,22H,1H3
InChIKeyGCIIMIWIOHEWLN-UHFFFAOYSA-N
XLogP5.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.79
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenyl)-2-methylphenol
CID 53218875
4-(3-chloro-2-fluorophenyl)-2,6-dimethylbenzoic acid
CID 172876910
1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone
CID 172646458
3-benzoyl-2,4,6-trimethylbenzoic acid
CID 90027498
[2-methyl-6-(4-methylphenyl)-4-phenylphenyl]-phenylmethanone
CID 2825389
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
[4-(3,5-dichlorophenyl)-3-methylphenyl]-phenylmethanone
CID 145471111
2-chloro-6-methyl-4-phenylbenzoic acid
CID 140590152
[4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone
CID 25138990
3-(2-chlorophenyl)benzoate
CID 7021700
2-bromo-5-(2-chlorophenyl)phenol
CID 171383319
(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)-2-hydroxy-6-methylphenyl]-phenylmethanone?
The IUPAC name of [4-(2-chlorophenyl)-2-hydroxy-6-methylphenyl]-phenylmethanone (CID 138972087) is [4-(2-chlorophenyl)-2-hydroxy-6-methylphenyl]-phenylmethanone.
What is the SMILES notation for [4-(2-chlorophenyl)-2-hydroxy-6-methylphenyl]-phenylmethanone?
The canonical SMILES for [4-(2-chlorophenyl)-2-hydroxy-6-methylphenyl]-phenylmethanone is Cc1cc(-c2ccccc2Cl)cc(O)c1C(=O)c1ccccc1.
What is the InChIKey of [4-(2-chlorophenyl)-2-hydroxy-6-methylphenyl]-phenylmethanone?
The InChIKey is GCIIMIWIOHEWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO2/c1-13-11-15(16-9-5-6-10-17(16)21)12-18(22)19(13)20(23)14-7-3-2-4-8-14/h2-12,22H,1H3.
What are the key properties of [4-(2-chlorophenyl)-2-hydroxy-6-methylphenyl]-phenylmethanone?
[4-(2-chlorophenyl)-2-hydroxy-6-methylphenyl]-phenylmethanone has a molecular weight of 322.79 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)-2-hydroxy-6-methylphenyl]-phenylmethanone is sourced from PubChem (CID 138972087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).