(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone

C16H13N3O2 — CID 114685545

IUPAC(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
SMILESCOc1cccc(C(=O)c2cnnn2-c2ccccc2)c1
InChIInChI=1S/C16H13N3O2/c1-21-14-9-5-6-12(10-14)16(20)15-11-17-18-19(15)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyDVLUCFVYDAJGHG-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.51
Rot. Bonds4

About (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone

(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone (PubChem CID 114685545) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
PubChem CID114685545
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
SMILESCOc1cccc(C(=O)c2cnnn2-c2ccccc2)c1
InChIInChI=1S/C16H13N3O2/c1-21-14-9-5-6-12(10-14)16(20)15-11-17-18-19(15)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyDVLUCFVYDAJGHG-UHFFFAOYSA-N
XLogP2.51
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl-(3-phenyltriazol-4-yl)methanone
CID 23266578
1-(3-methoxyphenyl)-3-(3-phenyltriazol-4-yl)propan-1-one
CID 46890426
(3-amino-4-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691816
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone
CID 82895758
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684694
(3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone
CID 10665128
(6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone
CID 114685792
(3-fluoro-5-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114686118
(3-amino-4-chlorophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691830
1-[3-(3-methoxyphenyl)triazol-4-yl]propan-2-one
CID 117167208
(3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone
CID 114686157

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone (CID 114685545) is (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone is COc1cccc(C(=O)c2cnnn2-c2ccccc2)c1.
What is the InChIKey of (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone?
The InChIKey is DVLUCFVYDAJGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-21-14-9-5-6-12(10-14)16(20)15-11-17-18-19(15)13-7-3-2-4-8-13/h2-11H,1H3.
What are the key properties of (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone?
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone has a molecular weight of 279.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 114685545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).