(2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol

C30H29ClO4 — CID 162203025

IUPAC(2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol
SMILESCc1cccc(C(=O)Cl)c1.Cc1cccc(C(=O)c2ccc(C)cc2O)c1.Cc1cccc(O)c1
InChIInChI=1S/C15H14O2.C8H7ClO.C7H8O/c1-10-4-3-5-12(8-10)15(17)13-7-6-11(2)9-14(13)16;1-6-3-2-4-7(5-6)8(9)10;1-6-3-2-4-7(8)5-6/h3-9,16H,1-2H3;2-5H,1H3;2-5,8H,1H3
InChIKeyZRVGQNXPINZVEO-UHFFFAOYSA-N
MW489.01 g/mol
LogP7.31
Rot. Bonds3

About (2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol

(2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol (PubChem CID 162203025) has the molecular formula C30H29ClO4 and a molecular weight of 489.01 g/mol. Its IUPAC name is (2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol.

Molecular Properties

Compound Name(2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol
PubChem CID162203025
Molecular FormulaC30H29ClO4
Molecular Weight489.01 g/mol
Exact Mass488.18
IUPAC Name(2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol
SMILESCc1cccc(C(=O)Cl)c1.Cc1cccc(C(=O)c2ccc(C)cc2O)c1.Cc1cccc(O)c1
InChIInChI=1S/C15H14O2.C8H7ClO.C7H8O/c1-10-4-3-5-12(8-10)15(17)13-7-6-11(2)9-14(13)16;1-6-3-2-4-7(5-6)8(9)10;1-6-3-2-4-7(8)5-6/h3-9,16H,1-2H3;2-5H,1H3;2-5,8H,1H3
InChIKeyZRVGQNXPINZVEO-UHFFFAOYSA-N
XLogP7.31
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.01
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze (2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol 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

bis(3-methylphenyl)methanone
CID 17848
carbonic acid;(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-(3-methylphenyl)methanone
CID 70446513
3-methylphenol
CID 67925627
benzene-1,3-diol;3-methylbenzoic acid
CID 174723405
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
(2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 175158311
(E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 100958822
4-methylbenzoic acid;3-methylphenol
CID 159152247
sodium 3-methylphenol
CID 21278687
(2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone
CID 11053930
(2,4-dimethylphenyl)-(2-hydroxy-4-methylphenyl)methanone
CID 22951592
(3-hydroxyphenyl)-(2-methylphenyl)methanone
CID 68613493

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol?
The IUPAC name of (2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol (CID 162203025) is (2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol.
What is the SMILES notation for (2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol?
The canonical SMILES for (2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol is Cc1cccc(C(=O)Cl)c1.Cc1cccc(C(=O)c2ccc(C)cc2O)c1.Cc1cccc(O)c1.
What is the InChIKey of (2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol?
The InChIKey is ZRVGQNXPINZVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2.C8H7ClO.C7H8O/c1-10-4-3-5-12(8-10)15(17)13-7-6-11(2)9-14(13)16;1-6-3-2-4-7(5-6)8(9)10;1-6-3-2-4-7(8)5-6/h3-9,16H,1-2H3;2-5H,1H3;2-5,8H,1H3.
What are the key properties of (2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol?
(2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol has a molecular weight of 489.01 g/mol, XLogP of 7.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol is sourced from PubChem (CID 162203025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).