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

C16H13N3O2 — CID 114685541

IUPAC(2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
SMILESCOc1ccccc1C(=O)c1cnnn1-c1ccccc1
InChIInChI=1S/C16H13N3O2/c1-21-15-10-6-5-9-13(15)16(20)14-11-17-18-19(14)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyKVERZVAVDOZRAE-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.51
Rot. Bonds4

About (2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone

(2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone (PubChem CID 114685541) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is (2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
PubChem CID114685541
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name(2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
SMILESCOc1ccccc1C(=O)c1cnnn1-c1ccccc1
InChIInChI=1S/C16H13N3O2/c1-21-15-10-6-5-9-13(15)16(20)14-11-17-18-19(14)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyKVERZVAVDOZRAE-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

(2-bromophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685691
phenyl-(3-phenyltriazol-4-yl)methanone
CID 23266578
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685545
(2-chloro-4-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 106865176
(3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone
CID 114686157
(4-aminophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691795
(3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone
CID 107977415
(2-methoxyphenyl)-(2-phenyltriazol-4-yl)methanone
CID 105079964
(3-amino-4-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691816
(6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone
CID 114685792
(3-fluoro-5-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114686118
(5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanone
CID 115806451

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone (CID 114685541) is (2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone is COc1ccccc1C(=O)c1cnnn1-c1ccccc1.
What is the InChIKey of (2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone?
The InChIKey is KVERZVAVDOZRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-21-15-10-6-5-9-13(15)16(20)14-11-17-18-19(14)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of (2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone?
(2-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 (2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 114685541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).