2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone

C14H15BrO2 — CID 103448107

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)C2=CCCC2)c1
InChIInChI=1S/C14H15BrO2/c1-17-12-6-7-13(15)11(8-12)9-14(16)10-4-2-3-5-10/h4,6-8H,2-3,5,9H2,1H3
InChIKeyGHWLDRWAZLOSMI-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.68
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone

2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone (PubChem CID 103448107) has the molecular formula C14H15BrO2 and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone
PubChem CID103448107
Molecular FormulaC14H15BrO2
Molecular Weight295.18 g/mol
Exact Mass294.03
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)C2=CCCC2)c1
InChIInChI=1S/C14H15BrO2/c1-17-12-6-7-13(15)11(8-12)9-14(16)10-4-2-3-5-10/h4,6-8H,2-3,5,9H2,1H3
InChIKeyGHWLDRWAZLOSMI-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)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

2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone
CID 114973586
2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
CID 65327862
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone
CID 114973645
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone
CID 114329747
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428
O-methyl 2-(2-bromo-5-methoxyphenyl)ethanethioate
CID 146285646
1-(2-bromo-5-methoxyphenyl)pentan-2-one
CID 65327573
2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone
CID 103449739
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 116554254
2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone
CID 114973583
1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone
CID 116550607
2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407677

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone (CID 103448107) is 2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone is COc1ccc(Br)c(CC(=O)C2=CCCC2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone?
The InChIKey is GHWLDRWAZLOSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO2/c1-17-12-6-7-13(15)11(8-12)9-14(16)10-4-2-3-5-10/h4,6-8H,2-3,5,9H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone?
2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone has a molecular weight of 295.18 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone is sourced from PubChem (CID 103448107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).