1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone

C15H13ClO2 — CID 79711690

IUPAC1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone
SMILESCOc1cc(-c2ccccc2C(C)=O)ccc1Cl
InChIInChI=1S/C15H13ClO2/c1-10(17)12-5-3-4-6-13(12)11-7-8-14(16)15(9-11)18-2/h3-9H,1-2H3
InChIKeyMVHBBAWRWAIPEQ-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.22
Rot. Bonds3

About 1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone

1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone (PubChem CID 79711690) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone
PubChem CID79711690
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone
SMILESCOc1cc(-c2ccccc2C(C)=O)ccc1Cl
InChIInChI=1S/C15H13ClO2/c1-10(17)12-5-3-4-6-13(12)11-7-8-14(16)15(9-11)18-2/h3-9H,1-2H3
InChIKeyMVHBBAWRWAIPEQ-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-4-(2,5-dichloro-4-methoxyphenyl)phenyl]ethanone
CID 82778971
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
1-[2-(3,4-diethoxyphenyl)phenyl]ethanone
CID 61025839
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone
CID 159226869
1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
CID 82779649
1-[2-hydroxy-5-(2-methoxyphenyl)phenyl]ethanone
CID 23004893
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone
CID 107622692
1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone
CID 82540809
2-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 70462111
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone?
The IUPAC name of 1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone (CID 79711690) is 1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone is COc1cc(-c2ccccc2C(C)=O)ccc1Cl.
What is the InChIKey of 1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone?
The InChIKey is MVHBBAWRWAIPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-10(17)12-5-3-4-6-13(12)11-7-8-14(16)15(9-11)18-2/h3-9H,1-2H3.
What are the key properties of 1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone?
1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone has a molecular weight of 260.72 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone is sourced from PubChem (CID 79711690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).