(4-methoxyphenyl)-(4-phenyltriazol-2-yl)methanone

C16H13N3O2 — CID 134126257

IUPAC(4-methoxyphenyl)-(4-phenyltriazol-2-yl)methanone
SMILESCOc1ccc(C(=O)n2ncc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H13N3O2/c1-21-14-9-7-13(8-10-14)16(20)19-17-11-15(18-19)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyZRMWLBPQMRHXMY-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.64
Rot. Bonds3

About (4-methoxyphenyl)-(4-phenyltriazol-2-yl)methanone

(4-methoxyphenyl)-(4-phenyltriazol-2-yl)methanone (PubChem CID 134126257) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is (4-methoxyphenyl)-(4-phenyltriazol-2-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(4-phenyltriazol-2-yl)methanone
PubChem CID134126257
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name(4-methoxyphenyl)-(4-phenyltriazol-2-yl)methanone
SMILESCOc1ccc(C(=O)n2ncc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H13N3O2/c1-21-14-9-7-13(8-10-14)16(20)19-17-11-15(18-19)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyZRMWLBPQMRHXMY-UHFFFAOYSA-N
XLogP2.64
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone
CID 67450721
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
5-(4-methoxyphenyl)-2-phenacyl-1,2,4-triazin-3-one
CID 23166249
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate
CID 1061728
(4-phenyltriazol-2-yl)-pyrrolidin-1-ylmethanone
CID 56593025
(4-fluorophenyl)-[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone
CID 1294985
2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 55828960
[4-(6-methoxynaphthalen-2-yl)triazol-2-yl]-pyrrolidin-1-ylmethanone
CID 56593034
(4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone
CID 694174
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
2-(4-methoxyphenoxy)-1-[4-(4-phenylbenzoyl)piperazin-1-yl]ethanone
CID 2877986
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(4-phenyltriazol-2-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(4-phenyltriazol-2-yl)methanone (CID 134126257) is (4-methoxyphenyl)-(4-phenyltriazol-2-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(4-phenyltriazol-2-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(4-phenyltriazol-2-yl)methanone is COc1ccc(C(=O)n2ncc(-c3ccccc3)n2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(4-phenyltriazol-2-yl)methanone?
The InChIKey is ZRMWLBPQMRHXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-21-14-9-7-13(8-10-14)16(20)19-17-11-15(18-19)12-5-3-2-4-6-12/h2-11H,1H3.
What are the key properties of (4-methoxyphenyl)-(4-phenyltriazol-2-yl)methanone?
(4-methoxyphenyl)-(4-phenyltriazol-2-yl)methanone has a molecular weight of 279.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(4-phenyltriazol-2-yl)methanone is sourced from PubChem (CID 134126257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).