1-[5-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol

C15H21BrOS — CID 82973207

IUPAC1-[5-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
SMILESCC1CCCC(Sc2ccc(Br)cc2C(C)O)C1
InChIInChI=1S/C15H21BrOS/c1-10-4-3-5-13(8-10)18-15-7-6-12(16)9-14(15)11(2)17/h6-7,9-11,13,17H,3-5,8H2,1-2H3
InChIKeyOJDASHAMTMHURD-UHFFFAOYSA-N
MW329.30 g/mol
LogP5.17
Rot. Bonds3

About 1-[5-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol

1-[5-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol (PubChem CID 82973207) has the molecular formula C15H21BrOS and a molecular weight of 329.30 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
PubChem CID82973207
Molecular FormulaC15H21BrOS
Molecular Weight329.30 g/mol
Exact Mass328.05
IUPAC Name1-[5-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
SMILESCC1CCCC(Sc2ccc(Br)cc2C(C)O)C1
InChIInChI=1S/C15H21BrOS/c1-10-4-3-5-13(8-10)18-15-7-6-12(16)9-14(15)11(2)17/h6-7,9-11,13,17H,3-5,8H2,1-2H3
InChIKeyOJDASHAMTMHURD-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.30
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
CID 78951607
1-[5-bromo-2-(oxan-4-ylsulfanyl)phenyl]ethanol
CID 82973582
1-[4-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanone
CID 82972468
1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol
CID 82973779
1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol
CID 82969824
1-[3-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
CID 114059535
(1S)-1-[4-(3-methylcyclohexyl)sulfanyl-3-nitrophenyl]ethanol
CID 63834972
1-[4-(3-methylcyclohexyl)sulfanyl-3-nitrophenyl]ethanol
CID 63835782
3-(difluoromethyl)-4-(3-methylcyclohexyl)sulfanylaniline
CID 63736565
1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine
CID 63532460
(1R)-1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanol
CID 63835814
5-methyl-2-(3-methylcyclohexyl)sulfanylbenzonitrile
CID 114017354

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol (CID 82973207) is 1-[5-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol is CC1CCCC(Sc2ccc(Br)cc2C(C)O)C1.
What is the InChIKey of 1-[5-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol?
The InChIKey is OJDASHAMTMHURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrOS/c1-10-4-3-5-13(8-10)18-15-7-6-12(16)9-14(15)11(2)17/h6-7,9-11,13,17H,3-5,8H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol?
1-[5-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol has a molecular weight of 329.30 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 82973207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).