(2-hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone

C19H13N3O2 — CID 11782023

IUPAC(2-hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone
SMILESO=C(c1ccccc1O)n1nnc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C19H13N3O2/c23-18-9-5-4-8-15(18)19(24)22-17-11-10-14(12-16(17)20-21-22)13-6-2-1-3-7-13/h1-12,23H
InChIKeyMPIOSXUIBYSWID-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.49
Rot. Bonds2

About (2-hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone

(2-hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone (PubChem CID 11782023) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is (2-hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone
PubChem CID11782023
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name(2-hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone
SMILESO=C(c1ccccc1O)n1nnc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C19H13N3O2/c23-18-9-5-4-8-15(18)19(24)22-17-11-10-14(12-16(17)20-21-22)13-6-2-1-3-7-13/h1-12,23H
InChIKeyMPIOSXUIBYSWID-UHFFFAOYSA-N
XLogP3.49
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzotriazol-1-yl-(4-hydroxyphenyl)methanone
CID 3708210
(2-Hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone
CID 10243969
1-(2-methoxybenzoyl)-1H-1,2,3-benzotriazole
CID 898930
2-(1H-1,2,3-Benzotriazole-1-carbonyl)phenol
CID 11042812
(5-Chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone
CID 10967695
(5-Fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone
CID 11065065
(2-Hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone
CID 11109578
2-(Benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone
CID 155520978
2-(5,6-Dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone
CID 155564904
(E)-3-[4-(benzotriazol-1-yl)phenyl]-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one
CID 139217777
(E)-3-[4-(benzotriazol-1-yl)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 139217770
2-(1h-Benzotriazol-1-yl-carbonyl)-4-bromophenol
CID 11515229

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone?
The IUPAC name of (2-hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone (CID 11782023) is (2-hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone.
What is the SMILES notation for (2-hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone?
The canonical SMILES for (2-hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone is O=C(c1ccccc1O)n1nnc2cc(-c3ccccc3)ccc21.
What is the InChIKey of (2-hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone?
The InChIKey is MPIOSXUIBYSWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-18-9-5-4-8-15(18)19(24)22-17-11-10-14(12-16(17)20-21-22)13-6-2-1-3-7-13/h1-12,23H.
What are the key properties of (2-hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone?
(2-hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone has a molecular weight of 315.33 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone is sourced from PubChem (CID 11782023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).