1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone

C15H19BrO2 — CID 54920032

IUPAC1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone
SMILESCOc1ccc(C(=O)CC2CCCCC2)c(Br)c1
InChIInChI=1S/C15H19BrO2/c1-18-12-7-8-13(14(16)10-12)15(17)9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3
InChIKeyHWZRSSZPSVIKTR-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.61
Rot. Bonds4

About 1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone

1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone (PubChem CID 54920032) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone
PubChem CID54920032
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Name1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone
SMILESCOc1ccc(C(=O)CC2CCCCC2)c(Br)c1
InChIInChI=1S/C15H19BrO2/c1-18-12-7-8-13(14(16)10-12)15(17)9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3
InChIKeyHWZRSSZPSVIKTR-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone 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-(2-bromo-4-ethoxyphenyl)-2-cycloheptylethanone
CID 114457392
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322
1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutylethanone
CID 103162365
1-(5-bromo-2-methoxy-4-methylphenyl)-2-cyclohexylethanone
CID 65439529
1-(4-amino-2-bromophenyl)-2-cyclobutylethanone
CID 103167069
1-(2-bromo-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555951
2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone
CID 115785355
N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide
CID 62416412
2-[1-(2-bromo-4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 154836645
N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide
CID 103707213
cyclododecylmethyl 2-(2,4-dimethoxyphenyl)-2-oxoacetate
CID 10023300
5-(2-bromo-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid
CID 62931067

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone?
The IUPAC name of 1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone (CID 54920032) is 1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone?
The canonical SMILES for 1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone is COc1ccc(C(=O)CC2CCCCC2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone?
The InChIKey is HWZRSSZPSVIKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO2/c1-18-12-7-8-13(14(16)10-12)15(17)9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3.
What are the key properties of 1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone?
1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone has a molecular weight of 311.22 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone is sourced from PubChem (CID 54920032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).