(2-methoxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone

C19H19N3O2 — CID 71681679

IUPAC(2-methoxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
SMILESCOc1ccccc1C(=O)c1cn(-c2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C19H19N3O2/c1-13(2)14-8-10-15(11-9-14)22-12-17(20-21-22)19(23)16-6-4-5-7-18(16)24-3/h4-13H,1-3H3
InChIKeyGOEIDIVFRPBPBV-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.63
Rot. Bonds5

About (2-methoxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone

(2-methoxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone (PubChem CID 71681679) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2-methoxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
PubChem CID71681679
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(2-methoxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
SMILESCOc1ccccc1C(=O)c1cn(-c2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C19H19N3O2/c1-13(2)14-8-10-15(11-9-14)22-12-17(20-21-22)19(23)16-6-4-5-7-18(16)24-3/h4-13H,1-3H3
InChIKeyGOEIDIVFRPBPBV-UHFFFAOYSA-N
XLogP3.63
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone (CID 71681679) is (2-methoxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone is COc1ccccc1C(=O)c1cn(-c2ccc(C(C)C)cc2)nn1.
What is the InChIKey of (2-methoxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone?
The InChIKey is GOEIDIVFRPBPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13(2)14-8-10-15(11-9-14)22-12-17(20-21-22)19(23)16-6-4-5-7-18(16)24-3/h4-13H,1-3H3.
What are the key properties of (2-methoxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone?
(2-methoxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone has a molecular weight of 321.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone is sourced from PubChem (CID 71681679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).