(5-methylthiophen-2-yl)-phenylmethanol

C12H12OS — CID 6624793

IUPAC(5-methylthiophen-2-yl)-phenylmethanol
SMILESCc1ccc(C(O)c2ccccc2)s1
InChIInChI=1S/C12H12OS/c1-9-7-8-11(14-9)12(13)10-5-3-2-4-6-10/h2-8,12-13H,1H3
InChIKeyNQTUPAROACIPON-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.14
Rot. Bonds2

About (5-methylthiophen-2-yl)-phenylmethanol

(5-methylthiophen-2-yl)-phenylmethanol (PubChem CID 6624793) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-phenylmethanol
PubChem CID6624793
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name(5-methylthiophen-2-yl)-phenylmethanol
SMILESCc1ccc(C(O)c2ccccc2)s1
InChIInChI=1S/C12H12OS/c1-9-7-8-11(14-9)12(13)10-5-3-2-4-6-10/h2-8,12-13H,1H3
InChIKeyNQTUPAROACIPON-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-methylthiophen-2-yl)-phenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-phenylmethanol?
The IUPAC name of (5-methylthiophen-2-yl)-phenylmethanol (CID 6624793) is (5-methylthiophen-2-yl)-phenylmethanol.
What is the SMILES notation for (5-methylthiophen-2-yl)-phenylmethanol?
The canonical SMILES for (5-methylthiophen-2-yl)-phenylmethanol is Cc1ccc(C(O)c2ccccc2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-phenylmethanol?
The InChIKey is NQTUPAROACIPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-9-7-8-11(14-9)12(13)10-5-3-2-4-6-10/h2-8,12-13H,1H3.
What are the key properties of (5-methylthiophen-2-yl)-phenylmethanol?
(5-methylthiophen-2-yl)-phenylmethanol has a molecular weight of 204.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-phenylmethanol is sourced from PubChem (CID 6624793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).