benzotriazol-1-yl-(2-phenoxyphenyl)methanone

C19H13N3O2 — CID 775349

IUPACbenzotriazol-1-yl-(2-phenoxyphenyl)methanone
SMILESO=C(c1ccccc1Oc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C19H13N3O2/c23-19(22-17-12-6-5-11-16(17)20-21-22)15-10-4-7-13-18(15)24-14-8-2-1-3-9-14/h1-13H
InChIKeyDLHXEQBOGZXING-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.91
Rot. Bonds3

About benzotriazol-1-yl-(2-phenoxyphenyl)methanone

benzotriazol-1-yl-(2-phenoxyphenyl)methanone (PubChem CID 775349) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is benzotriazol-1-yl-(2-phenoxyphenyl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-(2-phenoxyphenyl)methanone
PubChem CID775349
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Namebenzotriazol-1-yl-(2-phenoxyphenyl)methanone
SMILESO=C(c1ccccc1Oc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C19H13N3O2/c23-19(22-17-12-6-5-11-16(17)20-21-22)15-10-4-7-13-18(15)24-14-8-2-1-3-9-14/h1-13H
InChIKeyDLHXEQBOGZXING-UHFFFAOYSA-N
XLogP3.91
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(2-phenoxyphenyl)methanone?
The IUPAC name of benzotriazol-1-yl-(2-phenoxyphenyl)methanone (CID 775349) is benzotriazol-1-yl-(2-phenoxyphenyl)methanone.
What is the SMILES notation for benzotriazol-1-yl-(2-phenoxyphenyl)methanone?
The canonical SMILES for benzotriazol-1-yl-(2-phenoxyphenyl)methanone is O=C(c1ccccc1Oc1ccccc1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-(2-phenoxyphenyl)methanone?
The InChIKey is DLHXEQBOGZXING-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-19(22-17-12-6-5-11-16(17)20-21-22)15-10-4-7-13-18(15)24-14-8-2-1-3-9-14/h1-13H.
What are the key properties of benzotriazol-1-yl-(2-phenoxyphenyl)methanone?
benzotriazol-1-yl-(2-phenoxyphenyl)methanone has a molecular weight of 315.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-(2-phenoxyphenyl)methanone is sourced from PubChem (CID 775349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).