(5-bromofuran-3-yl)-(2-chlorothiophen-3-yl)methanol

C9H6BrClO2S — CID 130654931

IUPAC(5-bromofuran-3-yl)-(2-chlorothiophen-3-yl)methanol
SMILESOC(c1coc(Br)c1)c1ccsc1Cl
InChIInChI=1S/C9H6BrClO2S/c10-7-3-5(4-13-7)8(12)6-1-2-14-9(6)11/h1-4,8,12H
InChIKeyPGKQQSMRYGJNMA-UHFFFAOYSA-N
MW293.57 g/mol
LogP3.84
Rot. Bonds2

About (5-bromofuran-3-yl)-(2-chlorothiophen-3-yl)methanol

(5-bromofuran-3-yl)-(2-chlorothiophen-3-yl)methanol (PubChem CID 130654931) has the molecular formula C9H6BrClO2S and a molecular weight of 293.57 g/mol. Its IUPAC name is (5-bromofuran-3-yl)-(2-chlorothiophen-3-yl)methanol.

Molecular Properties

Compound Name(5-bromofuran-3-yl)-(2-chlorothiophen-3-yl)methanol
PubChem CID130654931
Molecular FormulaC9H6BrClO2S
Molecular Weight293.57 g/mol
Exact Mass291.90
IUPAC Name(5-bromofuran-3-yl)-(2-chlorothiophen-3-yl)methanol
SMILESOC(c1coc(Br)c1)c1ccsc1Cl
InChIInChI=1S/C9H6BrClO2S/c10-7-3-5(4-13-7)8(12)6-1-2-14-9(6)11/h1-4,8,12H
InChIKeyPGKQQSMRYGJNMA-UHFFFAOYSA-N
XLogP3.84
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.57
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorothiophen-3-yl)-(1H-pyrazol-4-yl)methanol
CID 131027728
3-(2-chlorothiophen-3-yl)butan-2-ol
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2-amino-1-(2-chlorothiophen-3-yl)-2-methylpropan-1-ol
CID 126997882
(1S)-1-(2-chlorothiophen-3-yl)ethane-1,2-diamine
CID 55273534
1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol
CID 115827311
3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide
CID 171867560
1-(2-chlorothiophen-3-yl)-2-methylsulfonylpropan-1-ol
CID 131093260
1-(5-bromofuran-3-yl)pent-3-yn-1-ol
CID 130735935
1-benzothiophen-7-yl-(5-bromothiophen-3-yl)methanol
CID 105119099
1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 131031441
3-amino-3-(2-chlorothiophen-3-yl)propan-1-ol
CID 55295934
(5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 130747012

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-3-yl)-(2-chlorothiophen-3-yl)methanol?
The IUPAC name of (5-bromofuran-3-yl)-(2-chlorothiophen-3-yl)methanol (CID 130654931) is (5-bromofuran-3-yl)-(2-chlorothiophen-3-yl)methanol.
What is the SMILES notation for (5-bromofuran-3-yl)-(2-chlorothiophen-3-yl)methanol?
The canonical SMILES for (5-bromofuran-3-yl)-(2-chlorothiophen-3-yl)methanol is OC(c1coc(Br)c1)c1ccsc1Cl.
What is the InChIKey of (5-bromofuran-3-yl)-(2-chlorothiophen-3-yl)methanol?
The InChIKey is PGKQQSMRYGJNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClO2S/c10-7-3-5(4-13-7)8(12)6-1-2-14-9(6)11/h1-4,8,12H.
What are the key properties of (5-bromofuran-3-yl)-(2-chlorothiophen-3-yl)methanol?
(5-bromofuran-3-yl)-(2-chlorothiophen-3-yl)methanol has a molecular weight of 293.57 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-3-yl)-(2-chlorothiophen-3-yl)methanol is sourced from PubChem (CID 130654931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).