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

C11H13BrOS — CID 66145032

IUPAC1-(2-bromophenyl)sulfanylpent-4-en-2-ol
SMILESC=CCC(O)CSc1ccccc1Br
InChIInChI=1S/C11H13BrOS/c1-2-5-9(13)8-14-11-7-4-3-6-10(11)12/h2-4,6-7,9,13H,1,5,8H2
InChIKeyQTBIBNBHGHTYDO-UHFFFAOYSA-N
MW273.20 g/mol
LogP3.48
Rot. Bonds5

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

1-(2-bromophenyl)sulfanylpent-4-en-2-ol (PubChem CID 66145032) has the molecular formula C11H13BrOS and a molecular weight of 273.20 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanylpent-4-en-2-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanylpent-4-en-2-ol
PubChem CID66145032
Molecular FormulaC11H13BrOS
Molecular Weight273.20 g/mol
Exact Mass271.99
IUPAC Name1-(2-bromophenyl)sulfanylpent-4-en-2-ol
SMILESC=CCC(O)CSc1ccccc1Br
InChIInChI=1S/C11H13BrOS/c1-2-5-9(13)8-14-11-7-4-3-6-10(11)12/h2-4,6-7,9,13H,1,5,8H2
InChIKeyQTBIBNBHGHTYDO-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'}

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Related Compounds

1-(2-bromophenyl)sulfanylpentan-2-ol
CID 66144436
1-(3-bromophenyl)sulfanylpent-4-en-2-ol
CID 66159404
1-(2-bromophenyl)sulfanyl-5-methylhex-5-en-2-ol
CID 114473926
1-(2-bromophenyl)sulfanylheptan-2-ol
CID 66144629
1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol
CID 66143470
3-(2-bromophenyl)sulfanyl-1,1,1-trifluoropropan-2-ol
CID 45158759
1-(2-bromophenyl)sulfanyl-4-methylsulfonylbutan-2-ol
CID 66145610
1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66145409
2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol
CID 66145607
2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol
CID 66144447
1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642586
1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol
CID 66145226

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanylpent-4-en-2-ol?
The IUPAC name of 1-(2-bromophenyl)sulfanylpent-4-en-2-ol (CID 66145032) is 1-(2-bromophenyl)sulfanylpent-4-en-2-ol.
What is the SMILES notation for 1-(2-bromophenyl)sulfanylpent-4-en-2-ol?
The canonical SMILES for 1-(2-bromophenyl)sulfanylpent-4-en-2-ol is C=CCC(O)CSc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)sulfanylpent-4-en-2-ol?
The InChIKey is QTBIBNBHGHTYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrOS/c1-2-5-9(13)8-14-11-7-4-3-6-10(11)12/h2-4,6-7,9,13H,1,5,8H2.
What are the key properties of 1-(2-bromophenyl)sulfanylpent-4-en-2-ol?
1-(2-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-(2-bromophenyl)sulfanylpent-4-en-2-ol is sourced from PubChem (CID 66145032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).