[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylthiophen-3-yl]methanol

C20H19FOS — CID 10663905

IUPAC[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylthiophen-3-yl]methanol
SMILESCC(C)c1sc(-c2ccccc2)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C20H19FOS/c1-13(2)19-17(12-22)18(14-8-10-16(21)11-9-14)20(23-19)15-6-4-3-5-7-15/h3-11,13,22H,12H2,1-2H3
InChIKeyFVEDLVBRSCWMCF-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.84
Rot. Bonds4

About [4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylthiophen-3-yl]methanol

[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylthiophen-3-yl]methanol (PubChem CID 10663905) has the molecular formula C20H19FOS and a molecular weight of 326.44 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylthiophen-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylthiophen-3-yl]methanol
PubChem CID10663905
Molecular FormulaC20H19FOS
Molecular Weight326.44 g/mol
Exact Mass326.11
IUPAC Name[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylthiophen-3-yl]methanol
SMILESCC(C)c1sc(-c2ccccc2)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C20H19FOS/c1-13(2)19-17(12-22)18(14-8-10-16(21)11-9-14)20(23-19)15-6-4-3-5-7-15/h3-11,13,22H,12H2,1-2H3
InChIKeyFVEDLVBRSCWMCF-UHFFFAOYSA-N
XLogP5.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylthiophen-3-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylthiophen-3-yl]methanol (CID 10663905) is [4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylthiophen-3-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylthiophen-3-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylthiophen-3-yl]methanol is CC(C)c1sc(-c2ccccc2)c(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylthiophen-3-yl]methanol?
The InChIKey is FVEDLVBRSCWMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FOS/c1-13(2)19-17(12-22)18(14-8-10-16(21)11-9-14)20(23-19)15-6-4-3-5-7-15/h3-11,13,22H,12H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylthiophen-3-yl]methanol?
[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylthiophen-3-yl]methanol has a molecular weight of 326.44 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylthiophen-3-yl]methanol is sourced from PubChem (CID 10663905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).