4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-[(E)-2-phenylethenyl]triazole

C19H17N3O — CID 127042693

IUPAC4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-[(E)-2-phenylethenyl]triazole
SMILESCOc1cccc(/C=C/c2cn(/C=C/c3ccccc3)nn2)c1
InChIInChI=1S/C19H17N3O/c1-23-19-9-5-8-17(14-19)10-11-18-15-22(21-20-18)13-12-16-6-3-2-4-7-16/h2-15H,1H3/b11-10+,13-12+
InChIKeyAPSSBNIZSWFAQS-AQASXUMVSA-N
MW303.37 g/mol
LogP4.09
Rot. Bonds5

About 4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-[(E)-2-phenylethenyl]triazole

4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-[(E)-2-phenylethenyl]triazole (PubChem CID 127042693) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-[(E)-2-phenylethenyl]triazole.

Molecular Properties

Compound Name4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-[(E)-2-phenylethenyl]triazole
PubChem CID127042693
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-[(E)-2-phenylethenyl]triazole
SMILESCOc1cccc(/C=C/c2cn(/C=C/c3ccccc3)nn2)c1
InChIInChI=1S/C19H17N3O/c1-23-19-9-5-8-17(14-19)10-11-18-15-22(21-20-18)13-12-16-6-3-2-4-7-16/h2-15H,1H3/b11-10+,13-12+
InChIKeyAPSSBNIZSWFAQS-AQASXUMVSA-N
XLogP4.09
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole
CID 175596970
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208
4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 166938463
4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 97104200
3-[2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one
CID 70437732
3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one
CID 70437731
3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 89046788
3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline
CID 69462204
2-[(E)-2-(3-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium
CID 10970233
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-[(E)-2-phenylethenyl]triazole?
The IUPAC name of 4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-[(E)-2-phenylethenyl]triazole (CID 127042693) is 4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-[(E)-2-phenylethenyl]triazole.
What is the SMILES notation for 4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-[(E)-2-phenylethenyl]triazole?
The canonical SMILES for 4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-[(E)-2-phenylethenyl]triazole is COc1cccc(/C=C/c2cn(/C=C/c3ccccc3)nn2)c1.
What is the InChIKey of 4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-[(E)-2-phenylethenyl]triazole?
The InChIKey is APSSBNIZSWFAQS-AQASXUMVSA-N. The full InChI is InChI=1S/C19H17N3O/c1-23-19-9-5-8-17(14-19)10-11-18-15-22(21-20-18)13-12-16-6-3-2-4-7-16/h2-15H,1H3/b11-10+,13-12+.
What are the key properties of 4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-[(E)-2-phenylethenyl]triazole?
4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-[(E)-2-phenylethenyl]triazole has a molecular weight of 303.37 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-[(E)-2-phenylethenyl]triazole is sourced from PubChem (CID 127042693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).