1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone

C15H13ClO2 — CID 82541177

IUPAC1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1-c1ccccc1Cl
InChIInChI=1S/C15H13ClO2/c1-10(17)11-7-8-15(18-2)13(9-11)12-5-3-4-6-14(12)16/h3-9H,1-2H3
InChIKeyNAICUUAZBFRJID-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.22
Rot. Bonds3

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

1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone (PubChem CID 82541177) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone
PubChem CID82541177
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1-c1ccccc1Cl
InChIInChI=1S/C15H13ClO2/c1-10(17)11-7-8-15(18-2)13(9-11)12-5-3-4-6-14(12)16/h3-9H,1-2H3
InChIKeyNAICUUAZBFRJID-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

Analyze 1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone 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

1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone
CID 82540809
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid
CID 82039088
1-[3-[(2-chlorophenyl)methylsulfanylmethyl]-4-methoxyphenyl]ethanone
CID 103600943
4-chloro-3-(5-chloro-2-methoxyphenyl)benzoic acid
CID 53227581
3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
CID 54912392
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162
1-[3-(3-fluorophenyl)-4-methoxyphenyl]ethanone
CID 82541241
(4-acetyl-2-methoxyphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate
CID 19167656
1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone
CID 24996134
1-[3-bromo-4-(2-chlorophenoxy)phenyl]ethanone
CID 62908154
1-(2-chlorophenyl)-4-iodo-2,5-dimethoxybenzene
CID 16741994

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone (CID 82541177) is 1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone is COc1ccc(C(C)=O)cc1-c1ccccc1Cl.
What is the InChIKey of 1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone?
The InChIKey is NAICUUAZBFRJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-10(17)11-7-8-15(18-2)13(9-11)12-5-3-4-6-14(12)16/h3-9H,1-2H3.
What are the key properties of 1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone?
1-[3-(2-chlorophenyl)-4-methoxyphenyl]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-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone is sourced from PubChem (CID 82541177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).