[2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methanol

C13H10ClF3OS — CID 90418125

IUPAC[2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methanol
SMILESCc1sc(-c2ccc(Cl)cc2)c(CO)c1C(F)(F)F
InChIInChI=1S/C13H10ClF3OS/c1-7-11(13(15,16)17)10(6-18)12(19-7)8-2-4-9(14)5-3-8/h2-5,18H,6H2,1H3
InChIKeyXDTZPDHPZJLFLV-UHFFFAOYSA-N
MW306.74 g/mol
LogP4.89
Rot. Bonds2

About [2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methanol

[2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methanol (PubChem CID 90418125) has the molecular formula C13H10ClF3OS and a molecular weight of 306.74 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methanol
PubChem CID90418125
Molecular FormulaC13H10ClF3OS
Molecular Weight306.74 g/mol
Exact Mass306.01
IUPAC Name[2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methanol
SMILESCc1sc(-c2ccc(Cl)cc2)c(CO)c1C(F)(F)F
InChIInChI=1S/C13H10ClF3OS/c1-7-11(13(15,16)17)10(6-18)12(19-7)8-2-4-9(14)5-3-8/h2-5,18H,6H2,1H3
InChIKeyXDTZPDHPZJLFLV-UHFFFAOYSA-N
XLogP4.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methanol 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 [2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methanol?
The IUPAC name of [2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methanol (CID 90418125) is [2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methanol.
What is the SMILES notation for [2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methanol?
The canonical SMILES for [2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methanol is Cc1sc(-c2ccc(Cl)cc2)c(CO)c1C(F)(F)F.
What is the InChIKey of [2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methanol?
The InChIKey is XDTZPDHPZJLFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3OS/c1-7-11(13(15,16)17)10(6-18)12(19-7)8-2-4-9(14)5-3-8/h2-5,18H,6H2,1H3.
What are the key properties of [2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methanol?
[2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methanol has a molecular weight of 306.74 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methanol is sourced from PubChem (CID 90418125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).