1-[2-(2,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enyl]-1,2,4-triazole

C18H15F2N3O — CID 54170362

IUPAC1-[2-(2,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enyl]-1,2,4-triazole
SMILESCOc1ccc(C=C(Cn2cncn2)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H15F2N3O/c1-24-16-5-2-13(3-6-16)8-14(10-23-12-21-11-22-23)17-7-4-15(19)9-18(17)20/h2-9,11-12H,10H2,1H3
InChIKeyOUOYUDDHINQWEQ-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.81
Rot. Bonds5

About 1-[2-(2,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enyl]-1,2,4-triazole

1-[2-(2,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enyl]-1,2,4-triazole (PubChem CID 54170362) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enyl]-1,2,4-triazole
PubChem CID54170362
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name1-[2-(2,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enyl]-1,2,4-triazole
SMILESCOc1ccc(C=C(Cn2cncn2)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H15F2N3O/c1-24-16-5-2-13(3-6-16)8-14(10-23-12-21-11-22-23)17-7-4-15(19)9-18(17)20/h2-9,11-12H,10H2,1H3
InChIKeyOUOYUDDHINQWEQ-UHFFFAOYSA-N
XLogP3.81
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2,4-difluorophenyl)-3-(4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
CID 141189353
[1-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)prop-1-en-2-yl] acetate
CID 67818506
(Z)-1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
CID 7218890
2-(2,4-difluorophenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 139619152
2-(2,4-difluorophenyl)-3-[[3-[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-thiadiazol-5-yl]sulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 67700992
(3R)-2-(2,4-difluorophenyl)-3-[[3-[2-(4-methoxyphenyl)ethenyl]-1,2,4-thiadiazol-5-yl]sulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 67700996
1-(2,4-difluorophenyl)-3-phenyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
CID 90719233
(E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol
CID 155704173
1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole
CID 70517867
1-[2-(2,4-difluorophenyl)-2-methoxy-3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
CID 90757078
2-(2,4-difluorophenyl)-1-(6-methoxybenzotriazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 46702512
1-[2-[(4-chlorophenyl)methylidene]-4,4-dimethylpentyl]-1,2,4-triazole
CID 54244225

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enyl]-1,2,4-triazole?
The IUPAC name of 1-[2-(2,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enyl]-1,2,4-triazole (CID 54170362) is 1-[2-(2,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enyl]-1,2,4-triazole is COc1ccc(C=C(Cn2cncn2)c2ccc(F)cc2F)cc1.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enyl]-1,2,4-triazole?
The InChIKey is OUOYUDDHINQWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-24-16-5-2-13(3-6-16)8-14(10-23-12-21-11-22-23)17-7-4-15(19)9-18(17)20/h2-9,11-12H,10H2,1H3.
What are the key properties of 1-[2-(2,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enyl]-1,2,4-triazole?
1-[2-(2,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enyl]-1,2,4-triazole has a molecular weight of 327.33 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enyl]-1,2,4-triazole is sourced from PubChem (CID 54170362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).