1-(3-bromophenyl)sulfanylpent-4-en-2-ol

C11H13BrOS — CID 66159404

IUPAC1-(3-bromophenyl)sulfanylpent-4-en-2-ol
SMILESC=CCC(O)CSc1cccc(Br)c1
InChIInChI=1S/C11H13BrOS/c1-2-4-10(13)8-14-11-6-3-5-9(12)7-11/h2-3,5-7,10,13H,1,4,8H2
InChIKeyQGRIJFJJGCTQQL-UHFFFAOYSA-N
MW273.20 g/mol
LogP3.48
Rot. Bonds5

About 1-(3-bromophenyl)sulfanylpent-4-en-2-ol

1-(3-bromophenyl)sulfanylpent-4-en-2-ol (PubChem CID 66159404) has the molecular formula C11H13BrOS and a molecular weight of 273.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfanylpent-4-en-2-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfanylpent-4-en-2-ol
PubChem CID66159404
Molecular FormulaC11H13BrOS
Molecular Weight273.20 g/mol
Exact Mass271.99
IUPAC Name1-(3-bromophenyl)sulfanylpent-4-en-2-ol
SMILESC=CCC(O)CSc1cccc(Br)c1
InChIInChI=1S/C11H13BrOS/c1-2-4-10(13)8-14-11-6-3-5-9(12)7-11/h2-3,5-7,10,13H,1,4,8H2
InChIKeyQGRIJFJJGCTQQL-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(3-bromophenyl)sulfanylpent-4-en-2-ol 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-(3-bromophenyl)sulfanyl-4-methylpentan-2-ol
CID 66159590
1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
CID 66160238
1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 66145491
1-(3-bromophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 63987420
1-(2-bromophenyl)sulfanylpent-4-en-2-ol
CID 66145032
1-(3-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-ol
CID 66143354
1-(3-bromophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66159990
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-bromophenyl)sulfanylpropan-2-ol
CID 66418784
1-(3-bromophenyl)sulfanyl-3-(5-chloro-2-fluorophenyl)propan-2-ol
CID 103048267
1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol
CID 66161561
1-(3-bromophenyl)sulfanyl-3-(4-chloro-2-fluorophenyl)propan-2-ol
CID 114854776
1-(3-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 115983592

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfanylpent-4-en-2-ol?
The IUPAC name of 1-(3-bromophenyl)sulfanylpent-4-en-2-ol (CID 66159404) is 1-(3-bromophenyl)sulfanylpent-4-en-2-ol.
What is the SMILES notation for 1-(3-bromophenyl)sulfanylpent-4-en-2-ol?
The canonical SMILES for 1-(3-bromophenyl)sulfanylpent-4-en-2-ol is C=CCC(O)CSc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)sulfanylpent-4-en-2-ol?
The InChIKey is QGRIJFJJGCTQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrOS/c1-2-4-10(13)8-14-11-6-3-5-9(12)7-11/h2-3,5-7,10,13H,1,4,8H2.
What are the key properties of 1-(3-bromophenyl)sulfanylpent-4-en-2-ol?
1-(3-bromophenyl)sulfanylpent-4-en-2-ol has a molecular weight of 273.20 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfanylpent-4-en-2-ol is sourced from PubChem (CID 66159404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).