1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone

C16H15ClO — CID 106861502

IUPAC1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2ccc(C)cc2Cl)c1
InChIInChI=1S/C16H15ClO/c1-11-4-3-5-13(8-11)10-16(18)14-7-6-12(2)9-15(14)17/h3-9H,10H2,1-2H3
InChIKeyDXJOUWVAVFHTQR-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.38
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone

1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone (PubChem CID 106861502) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone
PubChem CID106861502
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2ccc(C)cc2Cl)c1
InChIInChI=1S/C16H15ClO/c1-11-4-3-5-13(8-11)10-16(18)14-7-6-12(2)9-15(14)17/h3-9H,10H2,1-2H3
InChIKeyDXJOUWVAVFHTQR-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 106865109
1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)ethanone
CID 155671740
1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone
CID 106865128
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
CID 63492855
1-(2-amino-4-bromophenyl)-2-(3-methylphenyl)ethanone
CID 116591838
1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347
1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 65306864
1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone
CID 106861656
1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone
CID 116651006
1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 141249588

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone (CID 106861502) is 1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)c2ccc(C)cc2Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone?
The InChIKey is DXJOUWVAVFHTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO/c1-11-4-3-5-13(8-11)10-16(18)14-7-6-12(2)9-15(14)17/h3-9H,10H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone?
1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone has a molecular weight of 258.75 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 106861502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).