2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol

C14H15BrOS — CID 114079207

IUPAC2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol
SMILESCCC(O)(Cc1ccsc1)c1cccc(Br)c1
InChIInChI=1S/C14H15BrOS/c1-2-14(16,9-11-6-7-17-10-11)12-4-3-5-13(15)8-12/h3-8,10,16H,2,9H2,1H3
InChIKeyIVNYIQDXOZMMKU-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.35
Rot. Bonds4

About 2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol

2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol (PubChem CID 114079207) has the molecular formula C14H15BrOS and a molecular weight of 311.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol
PubChem CID114079207
Molecular FormulaC14H15BrOS
Molecular Weight311.24 g/mol
Exact Mass310.00
IUPAC Name2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol
SMILESCCC(O)(Cc1ccsc1)c1cccc(Br)c1
InChIInChI=1S/C14H15BrOS/c1-2-14(16,9-11-6-7-17-10-11)12-4-3-5-13(15)8-12/h3-8,10,16H,2,9H2,1H3
InChIKeyIVNYIQDXOZMMKU-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 315631
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CID 4259300
alpha-(2-Bromophenyl)-2-thiophenemethanol
CID 21428786
(4-Bromophenyl)-cyclopropyl-thiophen-2-ylmethanol
CID 285502
1-(3-Bromo-5-methyl-2-thienyl)cyclohexanol
CID 641983
1-Phenyl-1-thiophen-2-ylpropan-1-ol
CID 49962344
(5-Bromo-thiophen-2-yl)-(3-fluoro-phenyl)-methanol
CID 9817365
2,2,2-Trifluoro-1-phenyl-1-thiophen-3-ylethanol
CID 10611204
1-Phenyl-1-(2-thienyl)-2,2,2-trifluoroethanol
CID 12034523
(4-Bromothiophen-2-yl)-(3-fluorophenyl)methanol
CID 21183834
(5-Bromo-2-thienyl)(4-fluorophenyl)methanol
CID 49962861

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol?
The IUPAC name of 2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol (CID 114079207) is 2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for 2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol?
The canonical SMILES for 2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol is CCC(O)(Cc1ccsc1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol?
The InChIKey is IVNYIQDXOZMMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrOS/c1-2-14(16,9-11-6-7-17-10-11)12-4-3-5-13(15)8-12/h3-8,10,16H,2,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol?
2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol has a molecular weight of 311.24 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol is sourced from PubChem (CID 114079207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).