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

C13H11F3OS — CID 15946364

IUPAC[4-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol
SMILESCc1cc(CO)sc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3OS/c1-8-6-11(7-17)18-12(8)9-2-4-10(5-3-9)13(14,15)16/h2-6,17H,7H2,1H3
InChIKeyXKQJSNALDJGNAQ-UHFFFAOYSA-N
MW272.29 g/mol
LogP4.23
Rot. Bonds2

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

[4-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol (PubChem CID 15946364) has the molecular formula C13H11F3OS and a molecular weight of 272.29 g/mol. Its IUPAC name is [4-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol
PubChem CID15946364
Molecular FormulaC13H11F3OS
Molecular Weight272.29 g/mol
Exact Mass272.05
IUPAC Name[4-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol
SMILESCc1cc(CO)sc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3OS/c1-8-6-11(7-17)18-12(8)9-2-4-10(5-3-9)13(14,15)16/h2-6,17H,7H2,1H3
InChIKeyXKQJSNALDJGNAQ-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol?
The IUPAC name of [4-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol (CID 15946364) is [4-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol.
What is the SMILES notation for [4-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol?
The canonical SMILES for [4-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol is Cc1cc(CO)sc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol?
The InChIKey is XKQJSNALDJGNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3OS/c1-8-6-11(7-17)18-12(8)9-2-4-10(5-3-9)13(14,15)16/h2-6,17H,7H2,1H3.
What are the key properties of [4-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol?
[4-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol has a molecular weight of 272.29 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol is sourced from PubChem (CID 15946364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).