2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol

C15H21BrOS — CID 82932372

IUPAC2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol
SMILESOC(CSc1cccc(Br)c1)C1CCCCCC1
InChIInChI=1S/C15H21BrOS/c16-13-8-5-9-14(10-13)18-11-15(17)12-6-3-1-2-4-7-12/h5,8-10,12,15,17H,1-4,6-7,11H2
InChIKeyAWLZITKRWBNRRD-UHFFFAOYSA-N
MW329.30 g/mol
LogP4.87
Rot. Bonds4

About 2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol

2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol (PubChem CID 82932372) has the molecular formula C15H21BrOS and a molecular weight of 329.30 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol
PubChem CID82932372
Molecular FormulaC15H21BrOS
Molecular Weight329.30 g/mol
Exact Mass328.05
IUPAC Name2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol
SMILESOC(CSc1cccc(Br)c1)C1CCCCCC1
InChIInChI=1S/C15H21BrOS/c16-13-8-5-9-14(10-13)18-11-15(17)12-6-3-1-2-4-7-12/h5,8-10,12,15,17H,1-4,6-7,11H2
InChIKeyAWLZITKRWBNRRD-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 66145491
1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol
CID 66088334
[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine
CID 105238366
N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine
CID 66160027
2-(3-bromophenyl)-1-cycloheptylethanol
CID 63519836
1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol
CID 66087943
1-(3-bromophenyl)sulfanyl-4-methylpentan-2-ol
CID 66159590
2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine
CID 82931960
1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
CID 66160238
1-(3-bromophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 63987420
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine
CID 66159625
1-(3-bromophenyl)sulfanylpent-4-en-2-ol
CID 66159404

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol (CID 82932372) is 2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol is OC(CSc1cccc(Br)c1)C1CCCCCC1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol?
The InChIKey is AWLZITKRWBNRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrOS/c16-13-8-5-9-14(10-13)18-11-15(17)12-6-3-1-2-4-7-12/h5,8-10,12,15,17H,1-4,6-7,11H2.
What are the key properties of 2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol?
2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol has a molecular weight of 329.30 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol is sourced from PubChem (CID 82932372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).