2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol

C16H23BrO — CID 64738018

IUPAC2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol
SMILESCC1CCC(C(O)Cc2cccc(Br)c2)CC1C
InChIInChI=1S/C16H23BrO/c1-11-6-7-14(8-12(11)2)16(18)10-13-4-3-5-15(17)9-13/h3-5,9,11-12,14,16,18H,6-8,10H2,1-2H3
InChIKeyFHVSOYCRSXSZFI-UHFFFAOYSA-N
MW311.26 g/mol
LogP4.42
Rot. Bonds3

About 2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol

2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol (PubChem CID 64738018) has the molecular formula C16H23BrO and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol
PubChem CID64738018
Molecular FormulaC16H23BrO
Molecular Weight311.26 g/mol
Exact Mass310.09
IUPAC Name2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol
SMILESCC1CCC(C(O)Cc2cccc(Br)c2)CC1C
InChIInChI=1S/C16H23BrO/c1-11-6-7-14(8-12(11)2)16(18)10-13-4-3-5-15(17)9-13/h3-5,9,11-12,14,16,18H,6-8,10H2,1-2H3
InChIKeyFHVSOYCRSXSZFI-UHFFFAOYSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol
CID 63411098
2-(3-bromophenyl)-1-cycloheptylethanol
CID 63519836
2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol
CID 115806040
2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 66478373
2-(3-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400147
2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65424884
N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 64739441
1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene
CID 107183721
1-cyclohexyl-2-(3-methylphenyl)ethanol
CID 60798994
1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene
CID 107183607
2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401565
2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401348

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol?
The IUPAC name of 2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol (CID 64738018) is 2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol?
The canonical SMILES for 2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol is CC1CCC(C(O)Cc2cccc(Br)c2)CC1C.
What is the InChIKey of 2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol?
The InChIKey is FHVSOYCRSXSZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO/c1-11-6-7-14(8-12(11)2)16(18)10-13-4-3-5-15(17)9-13/h3-5,9,11-12,14,16,18H,6-8,10H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol?
2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol has a molecular weight of 311.26 g/mol, XLogP of 4.42, 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-(3,4-dimethylcyclohexyl)ethanol is sourced from PubChem (CID 64738018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).