1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol

C14H19BrOS — CID 82973779

IUPAC1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol
SMILESCC(O)c1ccc(Br)cc1SC1CCCCC1
InChIInChI=1S/C14H19BrOS/c1-10(16)13-8-7-11(15)9-14(13)17-12-5-3-2-4-6-12/h7-10,12,16H,2-6H2,1H3
InChIKeySDXOVIQVDLBMKU-UHFFFAOYSA-N
MW315.28 g/mol
LogP4.93
Rot. Bonds3

About 1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol

1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol (PubChem CID 82973779) has the molecular formula C14H19BrOS and a molecular weight of 315.28 g/mol. Its IUPAC name is 1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol
PubChem CID82973779
Molecular FormulaC14H19BrOS
Molecular Weight315.28 g/mol
Exact Mass314.03
IUPAC Name1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol
SMILESCC(O)c1ccc(Br)cc1SC1CCCCC1
InChIInChI=1S/C14H19BrOS/c1-10(16)13-8-7-11(15)9-14(13)17-12-5-3-2-4-6-12/h7-10,12,16H,2-6H2,1H3
InChIKeySDXOVIQVDLBMKU-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol 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

1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine
CID 82968989
3-cyclopentylsulfanyl-4-[(1S)-1-hydroxyethyl]benzonitrile
CID 113372987
1-[5-bromo-2-(oxan-4-ylsulfanyl)phenyl]ethanol
CID 82973582
1-[5-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
CID 82973207
4-bromo-2-cyclohexylsulfanylbenzaldehyde
CID 63802039
(1R)-1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanol
CID 63835814
5-bromo-2-cyclohexylsulfanylbenzoic acid
CID 114896238
1-[4-bromo-2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
CID 106496624
5-bromo-2-[(1S)-1-hydroxyethyl]phenol
CID 102949153
1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol
CID 82973483
1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
CID 102948328
1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol
CID 63835939

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol?
The IUPAC name of 1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol (CID 82973779) is 1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol is CC(O)c1ccc(Br)cc1SC1CCCCC1.
What is the InChIKey of 1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol?
The InChIKey is SDXOVIQVDLBMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrOS/c1-10(16)13-8-7-11(15)9-14(13)17-12-5-3-2-4-6-12/h7-10,12,16H,2-6H2,1H3.
What are the key properties of 1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol?
1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol has a molecular weight of 315.28 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol is sourced from PubChem (CID 82973779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).