(4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol

C15H13BrO2S — CID 102829575

IUPAC(4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)c3cc(Br)c(C)s3)cc2c1
InChIInChI=1S/C15H13BrO2S/c1-8-3-4-12-10(5-8)6-13(18-12)15(17)14-7-11(16)9(2)19-14/h3-7,15,17H,1-2H3
InChIKeyGAHJWPURZHRZDY-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.96
Rot. Bonds2

About (4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol

(4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol (PubChem CID 102829575) has the molecular formula C15H13BrO2S and a molecular weight of 337.24 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol
PubChem CID102829575
Molecular FormulaC15H13BrO2S
Molecular Weight337.24 g/mol
Exact Mass335.98
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)c3cc(Br)c(C)s3)cc2c1
InChIInChI=1S/C15H13BrO2S/c1-8-3-4-12-10(5-8)6-13(18-12)15(17)14-7-11(16)9(2)19-14/h3-7,15,17H,1-2H3
InChIKeyGAHJWPURZHRZDY-UHFFFAOYSA-N
XLogP4.96
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836357
(4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727481
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836356
(4-methoxythiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836341
(5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836630
(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724628
furan-3-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723617
(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727112
(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045351
(2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723556
(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723460
2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde
CID 114724114

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol (CID 102829575) is (4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol is Cc1ccc2oc(C(O)c3cc(Br)c(C)s3)cc2c1.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is GAHJWPURZHRZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2S/c1-8-3-4-12-10(5-8)6-13(18-12)15(17)14-7-11(16)9(2)19-14/h3-7,15,17H,1-2H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol?
(4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 337.24 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 102829575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).