(5-benzylthiophen-3-yl)methanol

C12H12OS — CID 12574080

IUPAC(5-benzylthiophen-3-yl)methanol
SMILESOCc1csc(Cc2ccccc2)c1
InChIInChI=1S/C12H12OS/c13-8-11-7-12(14-9-11)6-10-4-2-1-3-5-10/h1-5,7,9,13H,6,8H2
InChIKeyVQIQCLVQIMGMID-UHFFFAOYSA-N
MW204.29 g/mol
LogP2.83
Rot. Bonds3

About (5-benzylthiophen-3-yl)methanol

(5-benzylthiophen-3-yl)methanol (PubChem CID 12574080) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is (5-benzylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(5-benzylthiophen-3-yl)methanol
PubChem CID12574080
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name(5-benzylthiophen-3-yl)methanol
SMILESOCc1csc(Cc2ccccc2)c1
InChIInChI=1S/C12H12OS/c13-8-11-7-12(14-9-11)6-10-4-2-1-3-5-10/h1-5,7,9,13H,6,8H2
InChIKeyVQIQCLVQIMGMID-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-benzylthiophen-3-yl)methanol?
The IUPAC name of (5-benzylthiophen-3-yl)methanol (CID 12574080) is (5-benzylthiophen-3-yl)methanol.
What is the SMILES notation for (5-benzylthiophen-3-yl)methanol?
The canonical SMILES for (5-benzylthiophen-3-yl)methanol is OCc1csc(Cc2ccccc2)c1.
What is the InChIKey of (5-benzylthiophen-3-yl)methanol?
The InChIKey is VQIQCLVQIMGMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c13-8-11-7-12(14-9-11)6-10-4-2-1-3-5-10/h1-5,7,9,13H,6,8H2.
What are the key properties of (5-benzylthiophen-3-yl)methanol?
(5-benzylthiophen-3-yl)methanol has a molecular weight of 204.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzylthiophen-3-yl)methanol is sourced from PubChem (CID 12574080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).