1-(4-bromophenyl)-1-cycloheptylethanol

C15H21BrO — CID 82928373

IUPAC1-(4-bromophenyl)-1-cycloheptylethanol
SMILESCC(O)(c1ccc(Br)cc1)C1CCCCCC1
InChIInChI=1S/C15H21BrO/c1-15(17,12-6-4-2-3-5-7-12)13-8-10-14(16)11-9-13/h8-12,17H,2-7H2,1H3
InChIKeyVVKHAACJMDCGBZ-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.63
Rot. Bonds2

About 1-(4-bromophenyl)-1-cycloheptylethanol

1-(4-bromophenyl)-1-cycloheptylethanol (PubChem CID 82928373) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-cycloheptylethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-cycloheptylethanol
PubChem CID82928373
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name1-(4-bromophenyl)-1-cycloheptylethanol
SMILESCC(O)(c1ccc(Br)cc1)C1CCCCCC1
InChIInChI=1S/C15H21BrO/c1-15(17,12-6-4-2-3-5-7-12)13-8-10-14(16)11-9-13/h8-12,17H,2-7H2,1H3
InChIKeyVVKHAACJMDCGBZ-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-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

4-(1-cyclohexyl-1-hydroxyethyl)phenol
CID 83075432
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid
CID 115040165
1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 114794846
1-(3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[b]oxepin-7-yl)-1-(4-bromophenyl)ethanol
CID 71155153
1-cyclohexyl-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 114194209
ethyl 4-[(1S)-1-(4-bromophenyl)-1-hydroxyethyl]cyclohexane-1-carboxylate
CID 125499935
1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol
CID 114794874
1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol
CID 82778951
1-(3-chlorophenyl)-1-cyclohexylethanol
CID 43810110
1-(4-bromophenyl)-1-cyclohexyl-3-(diethylamino)propan-1-ol;hydrochloride
CID 23039582
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-cycloheptylethanol?
The IUPAC name of 1-(4-bromophenyl)-1-cycloheptylethanol (CID 82928373) is 1-(4-bromophenyl)-1-cycloheptylethanol.
What is the SMILES notation for 1-(4-bromophenyl)-1-cycloheptylethanol?
The canonical SMILES for 1-(4-bromophenyl)-1-cycloheptylethanol is CC(O)(c1ccc(Br)cc1)C1CCCCCC1.
What is the InChIKey of 1-(4-bromophenyl)-1-cycloheptylethanol?
The InChIKey is VVKHAACJMDCGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-15(17,12-6-4-2-3-5-7-12)13-8-10-14(16)11-9-13/h8-12,17H,2-7H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-cycloheptylethanol?
1-(4-bromophenyl)-1-cycloheptylethanol has a molecular weight of 297.24 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-cycloheptylethanol is sourced from PubChem (CID 82928373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).