(5-bromo-4-chlorothiophen-2-yl)-(furan-3-yl)methanol

C9H6BrClO2S — CID 80532151

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(furan-3-yl)methanol
SMILESOC(c1ccoc1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H6BrClO2S/c10-9-6(11)3-7(14-9)8(12)5-1-2-13-4-5/h1-4,8,12H
InChIKeyHARDVDHNZIHFMB-UHFFFAOYSA-N
MW293.57 g/mol
LogP3.84
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(furan-3-yl)methanol

(5-bromo-4-chlorothiophen-2-yl)-(furan-3-yl)methanol (PubChem CID 80532151) has the molecular formula C9H6BrClO2S and a molecular weight of 293.57 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(furan-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(furan-3-yl)methanol
PubChem CID80532151
Molecular FormulaC9H6BrClO2S
Molecular Weight293.57 g/mol
Exact Mass291.90
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(furan-3-yl)methanol
SMILESOC(c1ccoc1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H6BrClO2S/c10-9-6(11)3-7(14-9)8(12)5-1-2-13-4-5/h1-4,8,12H
InChIKeyHARDVDHNZIHFMB-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

(3-bromo-4-chlorophenyl)-(furan-3-yl)methanol
CID 115566408
(3-bromo-5-chlorophenyl)-(furan-3-yl)methanol
CID 107947484
(2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol
CID 61081034
(5-bromothiophen-3-yl)-(furan-3-yl)methanol
CID 105097126
(5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 80744829
(5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
CID 80532328
(S)-[5-(aminomethyl)thiophen-2-yl]-(furan-3-yl)methanol
CID 97102871
(4-chloro-3-methylphenyl)-(furan-3-yl)methanol
CID 91636310
(R)-(3-chloro-4-fluorophenyl)-(furan-3-yl)methanol
CID 95256733
[5-(aminomethyl)thiophen-2-yl]-(furan-3-yl)methanol
CID 71778094
(5-bromo-4-methylthiophen-2-yl)-(furan-3-yl)methanamine
CID 79992382
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(furan-3-yl)methanol
CID 61081789

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(furan-3-yl)methanol?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(furan-3-yl)methanol (CID 80532151) is (5-bromo-4-chlorothiophen-2-yl)-(furan-3-yl)methanol.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(furan-3-yl)methanol?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(furan-3-yl)methanol is OC(c1ccoc1)c1cc(Cl)c(Br)s1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(furan-3-yl)methanol?
The InChIKey is HARDVDHNZIHFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClO2S/c10-9-6(11)3-7(14-9)8(12)5-1-2-13-4-5/h1-4,8,12H.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(furan-3-yl)methanol?
(5-bromo-4-chlorothiophen-2-yl)-(furan-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-bromo-4-chlorothiophen-2-yl)-(furan-3-yl)methanol is sourced from PubChem (CID 80532151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).