(2E)-1-(4-fluorophenyl)-2-(pyridin-3-ylmethylidene)hexan-1-ol

C18H20FNO — CID 19804295

IUPAC(2E)-1-(4-fluorophenyl)-2-(pyridin-3-ylmethylidene)hexan-1-ol
SMILESCCCC/C(=C\c1cccnc1)C(O)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-2-3-6-16(12-14-5-4-11-20-13-14)18(21)15-7-9-17(19)10-8-15/h4-5,7-13,18,21H,2-3,6H2,1H3/b16-12+
InChIKeyRJAHBQCUTSXPGC-FOWTUZBSSA-N
MW285.36 g/mol
LogP4.53
Rot. Bonds6

About (2E)-1-(4-fluorophenyl)-2-(pyridin-3-ylmethylidene)hexan-1-ol

(2E)-1-(4-fluorophenyl)-2-(pyridin-3-ylmethylidene)hexan-1-ol (PubChem CID 19804295) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is (2E)-1-(4-fluorophenyl)-2-(pyridin-3-ylmethylidene)hexan-1-ol.

Molecular Properties

Compound Name(2E)-1-(4-fluorophenyl)-2-(pyridin-3-ylmethylidene)hexan-1-ol
PubChem CID19804295
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name(2E)-1-(4-fluorophenyl)-2-(pyridin-3-ylmethylidene)hexan-1-ol
SMILESCCCC/C(=C\c1cccnc1)C(O)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-2-3-6-16(12-14-5-4-11-20-13-14)18(21)15-7-9-17(19)10-8-15/h4-5,7-13,18,21H,2-3,6H2,1H3/b16-12+
InChIKeyRJAHBQCUTSXPGC-FOWTUZBSSA-N
XLogP4.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2E)-1-(4-fluorophenyl)-2-(pyridin-3-ylmethylidene)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(4-fluorophenyl)-2-(pyridin-3-ylmethylidene)hexan-1-ol?
The IUPAC name of (2E)-1-(4-fluorophenyl)-2-(pyridin-3-ylmethylidene)hexan-1-ol (CID 19804295) is (2E)-1-(4-fluorophenyl)-2-(pyridin-3-ylmethylidene)hexan-1-ol.
What is the SMILES notation for (2E)-1-(4-fluorophenyl)-2-(pyridin-3-ylmethylidene)hexan-1-ol?
The canonical SMILES for (2E)-1-(4-fluorophenyl)-2-(pyridin-3-ylmethylidene)hexan-1-ol is CCCC/C(=C\c1cccnc1)C(O)c1ccc(F)cc1.
What is the InChIKey of (2E)-1-(4-fluorophenyl)-2-(pyridin-3-ylmethylidene)hexan-1-ol?
The InChIKey is RJAHBQCUTSXPGC-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H20FNO/c1-2-3-6-16(12-14-5-4-11-20-13-14)18(21)15-7-9-17(19)10-8-15/h4-5,7-13,18,21H,2-3,6H2,1H3/b16-12+.
What are the key properties of (2E)-1-(4-fluorophenyl)-2-(pyridin-3-ylmethylidene)hexan-1-ol?
(2E)-1-(4-fluorophenyl)-2-(pyridin-3-ylmethylidene)hexan-1-ol has a molecular weight of 285.36 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(4-fluorophenyl)-2-(pyridin-3-ylmethylidene)hexan-1-ol is sourced from PubChem (CID 19804295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).