[4-(4-methoxyphenyl)-2-(trifluoromethyl)thiophen-3-yl]methanol

C13H11F3O2S — CID 134444737

IUPAC[4-(4-methoxyphenyl)-2-(trifluoromethyl)thiophen-3-yl]methanol
SMILESCOc1ccc(-c2csc(C(F)(F)F)c2CO)cc1
InChIInChI=1S/C13H11F3O2S/c1-18-9-4-2-8(3-5-9)11-7-19-12(10(11)6-17)13(14,15)16/h2-5,7,17H,6H2,1H3
InChIKeyFBAVLNNXPZNHSP-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.93
Rot. Bonds3

About [4-(4-methoxyphenyl)-2-(trifluoromethyl)thiophen-3-yl]methanol

[4-(4-methoxyphenyl)-2-(trifluoromethyl)thiophen-3-yl]methanol (PubChem CID 134444737) has the molecular formula C13H11F3O2S and a molecular weight of 288.29 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)-2-(trifluoromethyl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)-2-(trifluoromethyl)thiophen-3-yl]methanol
PubChem CID134444737
Molecular FormulaC13H11F3O2S
Molecular Weight288.29 g/mol
Exact Mass288.04
IUPAC Name[4-(4-methoxyphenyl)-2-(trifluoromethyl)thiophen-3-yl]methanol
SMILESCOc1ccc(-c2csc(C(F)(F)F)c2CO)cc1
InChIInChI=1S/C13H11F3O2S/c1-18-9-4-2-8(3-5-9)11-7-19-12(10(11)6-17)13(14,15)16/h2-5,7,17H,6H2,1H3
InChIKeyFBAVLNNXPZNHSP-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)-2-(trifluoromethyl)thiophen-3-yl]methanol?
The IUPAC name of [4-(4-methoxyphenyl)-2-(trifluoromethyl)thiophen-3-yl]methanol (CID 134444737) is [4-(4-methoxyphenyl)-2-(trifluoromethyl)thiophen-3-yl]methanol.
What is the SMILES notation for [4-(4-methoxyphenyl)-2-(trifluoromethyl)thiophen-3-yl]methanol?
The canonical SMILES for [4-(4-methoxyphenyl)-2-(trifluoromethyl)thiophen-3-yl]methanol is COc1ccc(-c2csc(C(F)(F)F)c2CO)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)-2-(trifluoromethyl)thiophen-3-yl]methanol?
The InChIKey is FBAVLNNXPZNHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O2S/c1-18-9-4-2-8(3-5-9)11-7-19-12(10(11)6-17)13(14,15)16/h2-5,7,17H,6H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)-2-(trifluoromethyl)thiophen-3-yl]methanol?
[4-(4-methoxyphenyl)-2-(trifluoromethyl)thiophen-3-yl]methanol has a molecular weight of 288.29 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)-2-(trifluoromethyl)thiophen-3-yl]methanol is sourced from PubChem (CID 134444737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).