2-(3-bromophenyl)-1-cycloheptylethanol

C15H21BrO — CID 63519836

IUPAC2-(3-bromophenyl)-1-cycloheptylethanol
SMILESOC(Cc1cccc(Br)c1)C1CCCCCC1
InChIInChI=1S/C15H21BrO/c16-14-9-5-6-12(10-14)11-15(17)13-7-3-1-2-4-8-13/h5-6,9-10,13,15,17H,1-4,7-8,11H2
InChIKeyDDJDWHDKTMHQJA-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.32
Rot. Bonds3

About 2-(3-bromophenyl)-1-cycloheptylethanol

2-(3-bromophenyl)-1-cycloheptylethanol (PubChem CID 63519836) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-cycloheptylethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-cycloheptylethanol
PubChem CID63519836
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name2-(3-bromophenyl)-1-cycloheptylethanol
SMILESOC(Cc1cccc(Br)c1)C1CCCCCC1
InChIInChI=1S/C15H21BrO/c16-14-9-5-6-12(10-14)11-15(17)13-7-3-1-2-4-8-13/h5-6,9-10,13,15,17H,1-4,7-8,11H2
InChIKeyDDJDWHDKTMHQJA-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromophenyl)-1-cycloheptylethanol 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-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol
CID 63411098
[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane
CID 63531421
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
1-cyclohexyl-2-(3-methylphenyl)ethanol
CID 60798994
2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol
CID 64738018
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol
CID 104800221
1-(3-bromophenyl)-3-cycloheptylpropan-2-amine
CID 114458146
2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol
CID 82932372
1-bromo-3-(2-chloro-3-cyclopentylpropyl)benzene
CID 63542179
N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine
CID 55020965
2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 66478373

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-cycloheptylethanol?
The IUPAC name of 2-(3-bromophenyl)-1-cycloheptylethanol (CID 63519836) is 2-(3-bromophenyl)-1-cycloheptylethanol.
What is the SMILES notation for 2-(3-bromophenyl)-1-cycloheptylethanol?
The canonical SMILES for 2-(3-bromophenyl)-1-cycloheptylethanol is OC(Cc1cccc(Br)c1)C1CCCCCC1.
What is the InChIKey of 2-(3-bromophenyl)-1-cycloheptylethanol?
The InChIKey is DDJDWHDKTMHQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c16-14-9-5-6-12(10-14)11-15(17)13-7-3-1-2-4-8-13/h5-6,9-10,13,15,17H,1-4,7-8,11H2.
What are the key properties of 2-(3-bromophenyl)-1-cycloheptylethanol?
2-(3-bromophenyl)-1-cycloheptylethanol has a molecular weight of 297.24 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-cycloheptylethanol is sourced from PubChem (CID 63519836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).