[4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-3-pyridinyl]methanol

C19H18FNOS — CID 15099529

IUPAC[4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-3-pyridinyl]methanol
SMILESCC(C)c1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C19H18FNOS/c1-12(2)19-16(11-22)15(13-5-7-14(20)8-6-13)10-17(21-19)18-4-3-9-23-18/h3-10,12,22H,11H2,1-2H3
InChIKeyPXVZNOHNQPGXCO-UHFFFAOYSA-N
MW327.42 g/mol
LogP5.23
Rot. Bonds4

About [4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-3-pyridinyl]methanol

[4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-3-pyridinyl]methanol (PubChem CID 15099529) has the molecular formula C19H18FNOS and a molecular weight of 327.42 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-3-pyridinyl]methanol
PubChem CID15099529
Molecular FormulaC19H18FNOS
Molecular Weight327.42 g/mol
Exact Mass327.11
IUPAC Name[4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-3-pyridinyl]methanol
SMILESCC(C)c1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C19H18FNOS/c1-12(2)19-16(11-22)15(13-5-7-14(20)8-6-13)10-17(21-19)18-4-3-9-23-18/h3-10,12,22H,11H2,1-2H3
InChIKeyPXVZNOHNQPGXCO-UHFFFAOYSA-N
XLogP5.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.42
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-3-pyridinyl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-3-pyridinyl]methanol (CID 15099529) is [4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-3-pyridinyl]methanol is CC(C)c1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-3-pyridinyl]methanol?
The InChIKey is PXVZNOHNQPGXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNOS/c1-12(2)19-16(11-22)15(13-5-7-14(20)8-6-13)10-17(21-19)18-4-3-9-23-18/h3-10,12,22H,11H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-3-pyridinyl]methanol?
[4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-3-pyridinyl]methanol has a molecular weight of 327.42 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-3-pyridinyl]methanol is sourced from PubChem (CID 15099529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).