1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol

C12H11BrO2S — CID 103459382

IUPAC1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol
SMILESOC(c1ccccc1)C(O)c1sccc1Br
InChIInChI=1S/C12H11BrO2S/c13-9-6-7-16-12(9)11(15)10(14)8-4-2-1-3-5-8/h1-7,10-11,14-15H
InChIKeyKQHWPFFBSLQQSN-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.28
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol

1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol (PubChem CID 103459382) has the molecular formula C12H11BrO2S and a molecular weight of 299.19 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol
PubChem CID103459382
Molecular FormulaC12H11BrO2S
Molecular Weight299.19 g/mol
Exact Mass297.97
IUPAC Name1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol
SMILESOC(c1ccccc1)C(O)c1sccc1Br
InChIInChI=1S/C12H11BrO2S/c13-9-6-7-16-12(9)11(15)10(14)8-4-2-1-3-5-8/h1-7,10-11,14-15H
InChIKeyKQHWPFFBSLQQSN-UHFFFAOYSA-N
XLogP3.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-diphenylethane-1,2-diol
CID 159073808
4-(3-bromothiophen-2-yl)-4-phenylbutan-1-ol
CID 67958084
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol
CID 106644525
(3-aminophenyl)-(3-bromothiophen-2-yl)methanol
CID 106695750
1-(4-bromothiophen-3-yl)-2-phenylethane-1,2-diol
CID 103459511
1-(3-bromothiophen-2-yl)pentane-1,2-diol
CID 103454860
1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol
CID 82987065
1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone
CID 103458210
1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 80534954
(1R)-1-(3-bromothiophen-2-yl)propan-1-ol
CID 82758861
(1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol
CID 134931219

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol (CID 103459382) is 1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol is OC(c1ccccc1)C(O)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol?
The InChIKey is KQHWPFFBSLQQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2S/c13-9-6-7-16-12(9)11(15)10(14)8-4-2-1-3-5-8/h1-7,10-11,14-15H.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol?
1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol has a molecular weight of 299.19 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol is sourced from PubChem (CID 103459382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).