2-(4-fluorophenyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile

C18H14FNO — CID 1248488

IUPAC2-(4-fluorophenyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile
SMILESCOc1ccc(C=CC=C(C#N)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H14FNO/c1-21-18-11-5-14(6-12-18)3-2-4-16(13-20)15-7-9-17(19)10-8-15/h2-12H,1H3
InChIKeyBPQNOUQCVAHSEU-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.45
Rot. Bonds4

About 2-(4-fluorophenyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile

2-(4-fluorophenyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile (PubChem CID 1248488) has the molecular formula C18H14FNO and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile
PubChem CID1248488
Molecular FormulaC18H14FNO
Molecular Weight279.31 g/mol
Exact Mass279.11
IUPAC Name2-(4-fluorophenyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile
SMILESCOc1ccc(C=CC=C(C#N)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H14FNO/c1-21-18-11-5-14(6-12-18)3-2-4-16(13-20)15-7-9-17(19)10-8-15/h2-12H,1H3
InChIKeyBPQNOUQCVAHSEU-UHFFFAOYSA-N
XLogP4.45
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile
CID 6341462
2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile
CID 3317052
(2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile
CID 20836458
(E)-2-(4-methoxyphenyl)but-2-enedinitrile
CID 101444835
2-(4-methoxyphenyl)but-2-enedinitrile
CID 54310324
2-cyano-5-(4-methoxyphenyl)penta-2,4-dienethioamide
CID 74258795
1-methoxy-4-[(1E)-4-methylpenta-1,3-dienyl]benzene
CID 10965272
(Z)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enenitrile
CID 69166539
1-[(3E)-1,1-difluoro-4-(4-fluorophenyl)buta-1,3-dien-2-yl]-4-methoxybenzene
CID 11500240
(Z)-2-(4-fluorophenyl)but-2-enenitrile
CID 11041007
3-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)prop-2-enenitrile
CID 2966659
(E)-2-(4-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enenitrile
CID 39149114

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile?
The IUPAC name of 2-(4-fluorophenyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile (CID 1248488) is 2-(4-fluorophenyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile?
The canonical SMILES for 2-(4-fluorophenyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile is COc1ccc(C=CC=C(C#N)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile?
The InChIKey is BPQNOUQCVAHSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO/c1-21-18-11-5-14(6-12-18)3-2-4-16(13-20)15-7-9-17(19)10-8-15/h2-12H,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile?
2-(4-fluorophenyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile has a molecular weight of 279.31 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile is sourced from PubChem (CID 1248488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).