(3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol

C9H5Br3O2S — CID 115800624

IUPAC(3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol
SMILESOC(c1cc(Br)c(Br)s1)c1occc1Br
InChIInChI=1S/C9H5Br3O2S/c10-4-1-2-14-8(4)7(13)6-3-5(11)9(12)15-6/h1-3,7,13H
InChIKeyQKJPIAOAJXJDMI-UHFFFAOYSA-N
MW416.92 g/mol
LogP4.71
Rot. Bonds2

About (3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol

(3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol (PubChem CID 115800624) has the molecular formula C9H5Br3O2S and a molecular weight of 416.92 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol
PubChem CID115800624
Molecular FormulaC9H5Br3O2S
Molecular Weight416.92 g/mol
Exact Mass413.76
IUPAC Name(3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol
SMILESOC(c1cc(Br)c(Br)s1)c1occc1Br
InChIInChI=1S/C9H5Br3O2S/c10-4-1-2-14-8(4)7(13)6-3-5(11)9(12)15-6/h1-3,7,13H
InChIKeyQKJPIAOAJXJDMI-UHFFFAOYSA-N
XLogP4.71
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.92
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 80535252
1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 115861591
(5-bromo-4-methylthiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 79991143
(3-bromofuran-2-yl)-(thiadiazol-5-yl)methanol
CID 105099526
(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol
CID 80535532
(2E)-3-bromo-1-[5-[(3-bromofuran-2-yl)-hydroxymethyl]thiophen-2-yl]penta-2,4-diene-1,2-diol
CID 126515394
(4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 80535506
(3-bromofuran-2-yl)-(3,4-dichlorophenyl)methanol
CID 63943199
(3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol
CID 63942028
(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 80535432
(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol
CID 66423642
(4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol
CID 80535254

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol?
The IUPAC name of (3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol (CID 115800624) is (3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol?
The canonical SMILES for (3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol is OC(c1cc(Br)c(Br)s1)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol?
The InChIKey is QKJPIAOAJXJDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br3O2S/c10-4-1-2-14-8(4)7(13)6-3-5(11)9(12)15-6/h1-3,7,13H.
What are the key properties of (3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol?
(3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol has a molecular weight of 416.92 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol is sourced from PubChem (CID 115800624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).