1-[2-(4-bromophenyl)-6-methoxyphenyl]ethanone

C15H13BrO2 — CID 132510284

IUPAC1-[2-(4-bromophenyl)-6-methoxyphenyl]ethanone
SMILESCOc1cccc(-c2ccc(Br)cc2)c1C(C)=O
InChIInChI=1S/C15H13BrO2/c1-10(17)15-13(4-3-5-14(15)18-2)11-6-8-12(16)9-7-11/h3-9H,1-2H3
InChIKeyHECLJAGNSPDJLN-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.33
Rot. Bonds3

About 1-[2-(4-bromophenyl)-6-methoxyphenyl]ethanone

1-[2-(4-bromophenyl)-6-methoxyphenyl]ethanone (PubChem CID 132510284) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)-6-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)-6-methoxyphenyl]ethanone
PubChem CID132510284
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name1-[2-(4-bromophenyl)-6-methoxyphenyl]ethanone
SMILESCOc1cccc(-c2ccc(Br)cc2)c1C(C)=O
InChIInChI=1S/C15H13BrO2/c1-10(17)15-13(4-3-5-14(15)18-2)11-6-8-12(16)9-7-11/h3-9H,1-2H3
InChIKeyHECLJAGNSPDJLN-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-bromophenyl)-6-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-bromophenyl)-4-(2-methoxyphenyl)naphthalene
CID 102287803
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162
1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone
CID 175686731
(2-acetyl-3-methoxyphenyl) acetate
CID 15090735
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
2-acetyl-N-hydroxy-3-methoxybenzamide
CID 125496951
(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
CID 43339938
1-[2-fluoro-6-(3-methoxyphenyl)phenyl]ethanone
CID 175686725
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene
CID 83666215
(2-acetyl-3-methoxyphenyl) methanesulfonate
CID 100978812
CID 158943354
CID 158943354

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)-6-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-(4-bromophenyl)-6-methoxyphenyl]ethanone (CID 132510284) is 1-[2-(4-bromophenyl)-6-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-(4-bromophenyl)-6-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-(4-bromophenyl)-6-methoxyphenyl]ethanone is COc1cccc(-c2ccc(Br)cc2)c1C(C)=O.
What is the InChIKey of 1-[2-(4-bromophenyl)-6-methoxyphenyl]ethanone?
The InChIKey is HECLJAGNSPDJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-10(17)15-13(4-3-5-14(15)18-2)11-6-8-12(16)9-7-11/h3-9H,1-2H3.
What are the key properties of 1-[2-(4-bromophenyl)-6-methoxyphenyl]ethanone?
1-[2-(4-bromophenyl)-6-methoxyphenyl]ethanone has a molecular weight of 305.17 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)-6-methoxyphenyl]ethanone is sourced from PubChem (CID 132510284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).