[4-(4-fluorophenyl)-2,5-di(propan-2-yl)thiophen-3-yl]methanol

C17H21FOS — CID 10957303

IUPAC[4-(4-fluorophenyl)-2,5-di(propan-2-yl)thiophen-3-yl]methanol
SMILESCC(C)c1sc(C(C)C)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C17H21FOS/c1-10(2)16-14(9-19)15(17(20-16)11(3)4)12-5-7-13(18)8-6-12/h5-8,10-11,19H,9H2,1-4H3
InChIKeyUVGHDSGGRVSVLP-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.29
Rot. Bonds4

About [4-(4-fluorophenyl)-2,5-di(propan-2-yl)thiophen-3-yl]methanol

[4-(4-fluorophenyl)-2,5-di(propan-2-yl)thiophen-3-yl]methanol (PubChem CID 10957303) has the molecular formula C17H21FOS and a molecular weight of 292.42 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2,5-di(propan-2-yl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2,5-di(propan-2-yl)thiophen-3-yl]methanol
PubChem CID10957303
Molecular FormulaC17H21FOS
Molecular Weight292.42 g/mol
Exact Mass292.13
IUPAC Name[4-(4-fluorophenyl)-2,5-di(propan-2-yl)thiophen-3-yl]methanol
SMILESCC(C)c1sc(C(C)C)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C17H21FOS/c1-10(2)16-14(9-19)15(17(20-16)11(3)4)12-5-7-13(18)8-6-12/h5-8,10-11,19H,9H2,1-4H3
InChIKeyUVGHDSGGRVSVLP-UHFFFAOYSA-N
XLogP5.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2,5-di(propan-2-yl)thiophen-3-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-2,5-di(propan-2-yl)thiophen-3-yl]methanol (CID 10957303) is [4-(4-fluorophenyl)-2,5-di(propan-2-yl)thiophen-3-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-2,5-di(propan-2-yl)thiophen-3-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-2,5-di(propan-2-yl)thiophen-3-yl]methanol is CC(C)c1sc(C(C)C)c(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [4-(4-fluorophenyl)-2,5-di(propan-2-yl)thiophen-3-yl]methanol?
The InChIKey is UVGHDSGGRVSVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FOS/c1-10(2)16-14(9-19)15(17(20-16)11(3)4)12-5-7-13(18)8-6-12/h5-8,10-11,19H,9H2,1-4H3.
What are the key properties of [4-(4-fluorophenyl)-2,5-di(propan-2-yl)thiophen-3-yl]methanol?
[4-(4-fluorophenyl)-2,5-di(propan-2-yl)thiophen-3-yl]methanol has a molecular weight of 292.42 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2,5-di(propan-2-yl)thiophen-3-yl]methanol is sourced from PubChem (CID 10957303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).