1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone

C16H15ClO2 — CID 24996134

IUPAC1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone
SMILESCOc1ccc(-c2ccc(C(C)=O)cc2C)cc1Cl
InChIInChI=1S/C16H15ClO2/c1-10-8-12(11(2)18)4-6-14(10)13-5-7-16(19-3)15(17)9-13/h4-9H,1-3H3
InChIKeyZRFKMKKJHQSROZ-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.53
Rot. Bonds3

About 1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone

1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone (PubChem CID 24996134) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone
PubChem CID24996134
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone
SMILESCOc1ccc(-c2ccc(C(C)=O)cc2C)cc1Cl
InChIInChI=1S/C16H15ClO2/c1-10-8-12(11(2)18)4-6-14(10)13-5-7-16(19-3)15(17)9-13/h4-9H,1-3H3
InChIKeyZRFKMKKJHQSROZ-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone
CID 82540809
1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
CID 82779649
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66481251
1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 17265364
1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone
CID 82541177
4-(4-acetylphenyl)-3-methylbenzoic acid
CID 53226031
4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid
CID 53226764
(3-chloro-4-methoxyphenyl) 4-acetylbenzoate
CID 21024683
1-[2-chloro-4-(2,5-dichloro-4-methoxyphenyl)phenyl]ethanone
CID 82778971
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241
1-(4-chloro-3-methylphenyl)ethanone;ethane
CID 143383173

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone?
The IUPAC name of 1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone (CID 24996134) is 1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone?
The canonical SMILES for 1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone is COc1ccc(-c2ccc(C(C)=O)cc2C)cc1Cl.
What is the InChIKey of 1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone?
The InChIKey is ZRFKMKKJHQSROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-10-8-12(11(2)18)4-6-14(10)13-5-7-16(19-3)15(17)9-13/h4-9H,1-3H3.
What are the key properties of 1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone?
1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone has a molecular weight of 274.75 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone is sourced from PubChem (CID 24996134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).