(2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone

C15H12Cl2O — CID 175158311

IUPAC(2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccc(Cl)c(C)c2Cl)c1
InChIInChI=1S/C15H12Cl2O/c1-9-4-3-5-11(8-9)15(18)12-6-7-13(16)10(2)14(12)17/h3-8H,1-2H3
InChIKeyXQLZKSLGFVIFAK-UHFFFAOYSA-N
MW279.17 g/mol
LogP4.84
Rot. Bonds2

About (2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone

(2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone (PubChem CID 175158311) has the molecular formula C15H12Cl2O and a molecular weight of 279.17 g/mol. Its IUPAC name is (2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone
PubChem CID175158311
Molecular FormulaC15H12Cl2O
Molecular Weight279.17 g/mol
Exact Mass278.03
IUPAC Name(2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccc(Cl)c(C)c2Cl)c1
InChIInChI=1S/C15H12Cl2O/c1-9-4-3-5-11(8-9)15(18)12-6-7-13(16)10(2)14(12)17/h3-8H,1-2H3
InChIKeyXQLZKSLGFVIFAK-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 112694024
bis(3-methylphenyl)methanone
CID 17848
(2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone
CID 11053930
(3-chloro-4-pyridinyl)-(3-methylphenyl)methanone
CID 105079332
2-(3-methylbenzoyl)benzoic acid
CID 2801746
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methylphenyl)methanone
CID 43340633
(3-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 146005798
(2-bromo-3-methylphenyl)-(3-methylphenyl)methanone
CID 107984414
(2,3-difluorophenyl)-(3-methylphenyl)methanone
CID 63987550
(4-bromo-2-iodophenyl)-(3-methylphenyl)methanone
CID 15467561
[5-chloro-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-(3-methylphenyl)methanone
CID 102134822
(2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol
CID 162203025

Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone?
The IUPAC name of (2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone (CID 175158311) is (2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone.
What is the SMILES notation for (2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone?
The canonical SMILES for (2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)c2ccc(Cl)c(C)c2Cl)c1.
What is the InChIKey of (2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone?
The InChIKey is XQLZKSLGFVIFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O/c1-9-4-3-5-11(8-9)15(18)12-6-7-13(16)10(2)14(12)17/h3-8H,1-2H3.
What are the key properties of (2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone?
(2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone has a molecular weight of 279.17 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone is sourced from PubChem (CID 175158311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).