[3-(5-methylthiophen-2-yl)phenyl]methanol

C12H12OS — CID 164647445

IUPAC[3-(5-methylthiophen-2-yl)phenyl]methanol
SMILESCc1ccc(-c2cccc(CO)c2)s1
InChIInChI=1S/C12H12OS/c1-9-5-6-12(14-9)11-4-2-3-10(7-11)8-13/h2-7,13H,8H2,1H3
InChIKeyYLXKFUBERFIROG-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.22
Rot. Bonds2

About [3-(5-methylthiophen-2-yl)phenyl]methanol

[3-(5-methylthiophen-2-yl)phenyl]methanol (PubChem CID 164647445) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is [3-(5-methylthiophen-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(5-methylthiophen-2-yl)phenyl]methanol
PubChem CID164647445
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name[3-(5-methylthiophen-2-yl)phenyl]methanol
SMILESCc1ccc(-c2cccc(CO)c2)s1
InChIInChI=1S/C12H12OS/c1-9-5-6-12(14-9)11-4-2-3-10(7-11)8-13/h2-7,13H,8H2,1H3
InChIKeyYLXKFUBERFIROG-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(5-methylthiophen-2-yl)phenyl]methanol?
The IUPAC name of [3-(5-methylthiophen-2-yl)phenyl]methanol (CID 164647445) is [3-(5-methylthiophen-2-yl)phenyl]methanol.
What is the SMILES notation for [3-(5-methylthiophen-2-yl)phenyl]methanol?
The canonical SMILES for [3-(5-methylthiophen-2-yl)phenyl]methanol is Cc1ccc(-c2cccc(CO)c2)s1.
What is the InChIKey of [3-(5-methylthiophen-2-yl)phenyl]methanol?
The InChIKey is YLXKFUBERFIROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-9-5-6-12(14-9)11-4-2-3-10(7-11)8-13/h2-7,13H,8H2,1H3.
What are the key properties of [3-(5-methylthiophen-2-yl)phenyl]methanol?
[3-(5-methylthiophen-2-yl)phenyl]methanol has a molecular weight of 204.29 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methylthiophen-2-yl)phenyl]methanol is sourced from PubChem (CID 164647445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).