[5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone

C16H13N3O2 — CID 132521712

IUPAC[5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone
SMILESCOc1ccc(-n2nccn2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C16H13N3O2/c1-21-13-7-8-15(19-17-9-10-18-19)14(11-13)16(20)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyOSGJYPDIGZLOKZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.51
Rot. Bonds4

About [5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone

[5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone (PubChem CID 132521712) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is [5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone
PubChem CID132521712
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name[5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone
SMILESCOc1ccc(-n2nccn2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C16H13N3O2/c1-21-13-7-8-15(19-17-9-10-18-19)14(11-13)16(20)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyOSGJYPDIGZLOKZ-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-(2-aminoimidazol-1-yl)-5-methoxyphenyl]-phenylmethanone
CID 70102383
5-methoxy-2-(triazol-2-yl)benzoyl chloride
CID 162404582
(5-methoxy-2-pyridin-2-yloxyphenyl)-phenylmethanone
CID 154487334
2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione
CID 168519707
CID 175499515
CID 175499515
CID 172864174
CID 172864174
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
1-[4-methoxy-2-(triazol-2-yl)phenyl]-2-methylprop-2-en-1-one
CID 144870345
3-benzoyl-6-methoxychromen-4-one
CID 747889
5-methoxy-2-(4-phenylbenzoyl)benzoic acid
CID 69209013
methyl (E)-3-(2-benzoyl-4-methoxyphenyl)prop-2-enoate
CID 122392377
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone?
The IUPAC name of [5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone (CID 132521712) is [5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone?
The canonical SMILES for [5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone is COc1ccc(-n2nccn2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of [5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone?
The InChIKey is OSGJYPDIGZLOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-21-13-7-8-15(19-17-9-10-18-19)14(11-13)16(20)12-5-3-2-4-6-12/h2-11H,1H3.
What are the key properties of [5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone?
[5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone 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 [5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 132521712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).