2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanol

C15H21BrOS — CID 66056467

IUPAC2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanol
SMILESCC1CCCC(C(O)CSc2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrOS/c1-11-3-2-4-12(9-11)15(17)10-18-14-7-5-13(16)6-8-14/h5-8,11-12,15,17H,2-4,9-10H2,1H3
InChIKeyBXMRCJXOLJOBEF-UHFFFAOYSA-N
MW329.30 g/mol
LogP4.73
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanol

2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanol (PubChem CID 66056467) has the molecular formula C15H21BrOS and a molecular weight of 329.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanol
PubChem CID66056467
Molecular FormulaC15H21BrOS
Molecular Weight329.30 g/mol
Exact Mass328.05
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanol
SMILESCC1CCCC(C(O)CSc2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrOS/c1-11-3-2-4-12(9-11)15(17)10-18-14-7-5-13(16)6-8-14/h5-8,11-12,15,17H,2-4,9-10H2,1H3
InChIKeyBXMRCJXOLJOBEF-UHFFFAOYSA-N
XLogP4.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 66055303
2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanone
CID 66056070
2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol
CID 55187545
1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol
CID 43345398
2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol
CID 82932372
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine
CID 66159625
2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 55186434
1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 106848828
1-(4-bromophenyl)sulfanyl-3-(oxan-4-yl)propan-2-ol
CID 66054289
4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol
CID 142020091
1-(4-bromophenyl)sulfanyl-3,3-dimethylbutan-2-ol
CID 60728564
N-[1-(4-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43215999

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanol?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanol (CID 66056467) is 2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanol is CC1CCCC(C(O)CSc2ccc(Br)cc2)C1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanol?
The InChIKey is BXMRCJXOLJOBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrOS/c1-11-3-2-4-12(9-11)15(17)10-18-14-7-5-13(16)6-8-14/h5-8,11-12,15,17H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanol?
2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanol has a molecular weight of 329.30 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanol is sourced from PubChem (CID 66056467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).