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

C10H8Br2O2S — CID 80535252

IUPAC(4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
SMILESCc1ccoc1C(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H8Br2O2S/c1-5-2-3-14-9(5)8(13)7-4-6(11)10(12)15-7/h2-4,8,13H,1H3
InChIKeyXNIWJJCMFMDGCQ-UHFFFAOYSA-N
MW352.05 g/mol
LogP4.26
Rot. Bonds2

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

(4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol (PubChem CID 80535252) has the molecular formula C10H8Br2O2S and a molecular weight of 352.05 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
PubChem CID80535252
Molecular FormulaC10H8Br2O2S
Molecular Weight352.05 g/mol
Exact Mass349.86
IUPAC Name(4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
SMILESCc1ccoc1C(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H8Br2O2S/c1-5-2-3-14-9(5)8(13)7-4-6(11)10(12)15-7/h2-4,8,13H,1H3
InChIKeyXNIWJJCMFMDGCQ-UHFFFAOYSA-N
XLogP4.26
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.05
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 79991143
(3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol
CID 115800624
(5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 61081936
(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol
CID 80535503
1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 115861591
(4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879530
(4,5-dibromothiophen-2-yl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 80538693
(4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol
CID 114684488
(4,5-dibromothiophen-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 80535288
(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol
CID 80535532
(3-methylfuran-2-yl)-(2,3,5,6-tetramethylphenyl)methanol
CID 61089048
2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]-3,6-dimethylbenzoic acid
CID 103430671

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol (CID 80535252) is (4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol is Cc1ccoc1C(O)c1cc(Br)c(Br)s1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol?
The InChIKey is XNIWJJCMFMDGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2O2S/c1-5-2-3-14-9(5)8(13)7-4-6(11)10(12)15-7/h2-4,8,13H,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol?
(4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol has a molecular weight of 352.05 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol is sourced from PubChem (CID 80535252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).