1-(3-bromo-4-methoxyphenyl)-2-phenylethanone

C15H13BrO2 — CID 43339868

IUPAC1-(3-bromo-4-methoxyphenyl)-2-phenylethanone
SMILESCOc1ccc(C(=O)Cc2ccccc2)cc1Br
InChIInChI=1S/C15H13BrO2/c1-18-15-8-7-12(10-13(15)16)14(17)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKeyFEDBEQJFIXDPMW-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.88
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)-2-phenylethanone

1-(3-bromo-4-methoxyphenyl)-2-phenylethanone (PubChem CID 43339868) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-phenylethanone
PubChem CID43339868
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-phenylethanone
SMILESCOc1ccc(C(=O)Cc2ccccc2)cc1Br
InChIInChI=1S/C15H13BrO2/c1-18-15-8-7-12(10-13(15)16)14(17)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKeyFEDBEQJFIXDPMW-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-4-methoxyphenyl)-2-phenylethanone 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-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159
1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116582135
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 2236980
1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone
CID 43799540
2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491659
2-(benzenesulfonyl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 62916683
1-(3-bromo-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114965317
2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 106950901
1-(3-bromo-4-methoxyphenyl)pentan-1-one
CID 43161744
1-(3-bromo-4-methoxyphenyl)-4,4-dimethylpentan-1-one
CID 114970106
2-(3-bromo-4-methoxyphenyl)-1-(4-iodophenyl)ethanone
CID 114964703

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-phenylethanone?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-phenylethanone (CID 43339868) is 1-(3-bromo-4-methoxyphenyl)-2-phenylethanone.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-phenylethanone?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-phenylethanone is COc1ccc(C(=O)Cc2ccccc2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-phenylethanone?
The InChIKey is FEDBEQJFIXDPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-18-15-8-7-12(10-13(15)16)14(17)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-phenylethanone?
1-(3-bromo-4-methoxyphenyl)-2-phenylethanone has a molecular weight of 305.17 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2-phenylethanone is sourced from PubChem (CID 43339868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).