1-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enyl]-1,2,4-triazole

C19H19N3O2 — CID 54462295

IUPAC1-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enyl]-1,2,4-triazole
SMILESCOc1cc(C=CCn2cncn2)ccc1OCc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-23-19-12-16(8-5-11-22-15-20-14-21-22)9-10-18(19)24-13-17-6-3-2-4-7-17/h2-10,12,14-15H,11,13H2,1H3
InChIKeyXCLHRURJHUKHOF-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.58
Rot. Bonds7

About 1-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enyl]-1,2,4-triazole

1-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enyl]-1,2,4-triazole (PubChem CID 54462295) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enyl]-1,2,4-triazole
PubChem CID54462295
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enyl]-1,2,4-triazole
SMILESCOc1cc(C=CCn2cncn2)ccc1OCc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-23-19-12-16(8-5-11-22-15-20-14-21-22)9-10-18(19)24-13-17-6-3-2-4-7-17/h2-10,12,14-15H,11,13H2,1H3
InChIKeyXCLHRURJHUKHOF-UHFFFAOYSA-N
XLogP3.58
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enyl]-1,2,4-triazole with MolForge

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

Launch Full Analysis

Related Compounds

1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247
1-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]-1,2,4-triazole
CID 2199762
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905
(E)-1-(1-ethylpyrazol-4-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 19543385
N-[4-(3-methoxy-4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine
CID 739210
5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 166666310
S-[3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl] ethanethioate
CID 169458371
3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327
4-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1-[2-[2-[4-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium
CID 89191654
silver 2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-3,6-bis(phenylmethoxy)benzenethiolate
CID 10722368

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enyl]-1,2,4-triazole?
The IUPAC name of 1-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enyl]-1,2,4-triazole (CID 54462295) is 1-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enyl]-1,2,4-triazole.
What is the SMILES notation for 1-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enyl]-1,2,4-triazole?
The canonical SMILES for 1-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enyl]-1,2,4-triazole is COc1cc(C=CCn2cncn2)ccc1OCc1ccccc1.
What is the InChIKey of 1-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enyl]-1,2,4-triazole?
The InChIKey is XCLHRURJHUKHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-23-19-12-16(8-5-11-22-15-20-14-21-22)9-10-18(19)24-13-17-6-3-2-4-7-17/h2-10,12,14-15H,11,13H2,1H3.
What are the key properties of 1-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enyl]-1,2,4-triazole?
1-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enyl]-1,2,4-triazole has a molecular weight of 321.38 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enyl]-1,2,4-triazole is sourced from PubChem (CID 54462295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).