(5-bromothiophen-3-yl)-(furan-3-yl)methanol

C9H7BrO2S — CID 105097126

IUPAC(5-bromothiophen-3-yl)-(furan-3-yl)methanol
SMILESOC(c1ccoc1)c1csc(Br)c1
InChIInChI=1S/C9H7BrO2S/c10-8-3-7(5-13-8)9(11)6-1-2-12-4-6/h1-5,9,11H
InChIKeyZLWUYYSQGCTZPS-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.19
Rot. Bonds2

About (5-bromothiophen-3-yl)-(furan-3-yl)methanol

(5-bromothiophen-3-yl)-(furan-3-yl)methanol (PubChem CID 105097126) has the molecular formula C9H7BrO2S and a molecular weight of 259.12 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(furan-3-yl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(furan-3-yl)methanol
PubChem CID105097126
Molecular FormulaC9H7BrO2S
Molecular Weight259.12 g/mol
Exact Mass257.94
IUPAC Name(5-bromothiophen-3-yl)-(furan-3-yl)methanol
SMILESOC(c1ccoc1)c1csc(Br)c1
InChIInChI=1S/C9H7BrO2S/c10-8-3-7(5-13-8)9(11)6-1-2-12-4-6/h1-5,9,11H
InChIKeyZLWUYYSQGCTZPS-UHFFFAOYSA-N
XLogP3.19
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-chlorophenyl)-(furan-3-yl)methanol
CID 107947484
(3-bromo-4-chlorophenyl)-(furan-3-yl)methanol
CID 115566408
(S)-(3,5-difluorophenyl)-(furan-3-yl)methanol
CID 95363998
(5-bromothiophen-3-yl)-thiophen-2-ylmethanol
CID 105079878
(5-bromo-4-chlorothiophen-2-yl)-(furan-3-yl)methanol
CID 80532151
(5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 107964313
1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol
CID 105128806
6-[(5-bromothiophen-3-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one
CID 107964195
(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanol
CID 107964214
(R)-(3-chloro-4-fluorophenyl)-(furan-3-yl)methanol
CID 95256733
furan-3-yl-(3,4,5-trimethoxyphenyl)methanol
CID 63948143
(5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 107964365

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(furan-3-yl)methanol?
The IUPAC name of (5-bromothiophen-3-yl)-(furan-3-yl)methanol (CID 105097126) is (5-bromothiophen-3-yl)-(furan-3-yl)methanol.
What is the SMILES notation for (5-bromothiophen-3-yl)-(furan-3-yl)methanol?
The canonical SMILES for (5-bromothiophen-3-yl)-(furan-3-yl)methanol is OC(c1ccoc1)c1csc(Br)c1.
What is the InChIKey of (5-bromothiophen-3-yl)-(furan-3-yl)methanol?
The InChIKey is ZLWUYYSQGCTZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2S/c10-8-3-7(5-13-8)9(11)6-1-2-12-4-6/h1-5,9,11H.
What are the key properties of (5-bromothiophen-3-yl)-(furan-3-yl)methanol?
(5-bromothiophen-3-yl)-(furan-3-yl)methanol has a molecular weight of 259.12 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(furan-3-yl)methanol is sourced from PubChem (CID 105097126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).