(4-methylphenyl)-thiophen-2-ylmethanol

C12H12OS — CID 10774571

IUPAC(4-methylphenyl)-thiophen-2-ylmethanol
SMILESCc1ccc(C(O)c2cccs2)cc1
InChIInChI=1S/C12H12OS/c1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11/h2-8,12-13H,1H3
InChIKeyWPDHDEMXVCYDBV-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.14
Rot. Bonds2

About (4-methylphenyl)-thiophen-2-ylmethanol

(4-methylphenyl)-thiophen-2-ylmethanol (PubChem CID 10774571) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is (4-methylphenyl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(4-methylphenyl)-thiophen-2-ylmethanol
PubChem CID10774571
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name(4-methylphenyl)-thiophen-2-ylmethanol
SMILESCc1ccc(C(O)c2cccs2)cc1
InChIInChI=1S/C12H12OS/c1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11/h2-8,12-13H,1H3
InChIKeyWPDHDEMXVCYDBV-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

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-thiophen-2-ylmethanol?
The IUPAC name of (4-methylphenyl)-thiophen-2-ylmethanol (CID 10774571) is (4-methylphenyl)-thiophen-2-ylmethanol.
What is the SMILES notation for (4-methylphenyl)-thiophen-2-ylmethanol?
The canonical SMILES for (4-methylphenyl)-thiophen-2-ylmethanol is Cc1ccc(C(O)c2cccs2)cc1.
What is the InChIKey of (4-methylphenyl)-thiophen-2-ylmethanol?
The InChIKey is WPDHDEMXVCYDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11/h2-8,12-13H,1H3.
What are the key properties of (4-methylphenyl)-thiophen-2-ylmethanol?
(4-methylphenyl)-thiophen-2-ylmethanol 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 (4-methylphenyl)-thiophen-2-ylmethanol is sourced from PubChem (CID 10774571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).