2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol

C15H21BrO — CID 55187545

IUPAC2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol
SMILESCC1CCCC(C(O)Cc2ccccc2Br)C1
InChIInChI=1S/C15H21BrO/c1-11-5-4-7-13(9-11)15(17)10-12-6-2-3-8-14(12)16/h2-3,6,8,11,13,15,17H,4-5,7,9-10H2,1H3
InChIKeyXSSMZWXQOMSACD-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.18
Rot. Bonds3

About 2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol

2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol (PubChem CID 55187545) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol
PubChem CID55187545
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol
SMILESCC1CCCC(C(O)Cc2ccccc2Br)C1
InChIInChI=1S/C15H21BrO/c1-11-5-4-7-13(9-11)15(17)10-12-6-2-3-8-14(12)16/h2-3,6,8,11,13,15,17H,4-5,7,9-10H2,1H3
InChIKeyXSSMZWXQOMSACD-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 112653098
2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401737
(2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol
CID 114885757
3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712466
2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol
CID 79074463
2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanol
CID 66056467
1-(3-methylcyclohexyl)-4-phenoxybutan-1-ol
CID 55155150
2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 82920862
2-(1-ethylbenzimidazol-2-yl)-1-(3-methylcyclohexyl)ethanol
CID 79755078
(3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 63411173
3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid
CID 79418826
[2-(2-bromophenyl)-1-cyclohexylethyl]hydrazine
CID 105201966

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol?
The IUPAC name of 2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol (CID 55187545) is 2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol is CC1CCCC(C(O)Cc2ccccc2Br)C1.
What is the InChIKey of 2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol?
The InChIKey is XSSMZWXQOMSACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-11-5-4-7-13(9-11)15(17)10-12-6-2-3-8-14(12)16/h2-3,6,8,11,13,15,17H,4-5,7,9-10H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol?
2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol has a molecular weight of 297.24 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol is sourced from PubChem (CID 55187545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).