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

C14H11N3O2 — CID 10243969

IUPAC(2-hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone
SMILESCc1ccc2c(c1)nnn2C(=O)c1ccccc1O
InChIInChI=1S/C14H11N3O2/c1-9-6-7-12-11(8-9)15-16-17(12)14(19)10-4-2-3-5-13(10)18/h2-8,18H,1H3
InChIKeyZPGKGVJDISECNN-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.13
Rot. Bonds1

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

(2-hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone (PubChem CID 10243969) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is (2-hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone
PubChem CID10243969
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name(2-hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone
SMILESCc1ccc2c(c1)nnn2C(=O)c1ccccc1O
InChIInChI=1S/C14H11N3O2/c1-9-6-7-12-11(8-9)15-16-17(12)14(19)10-4-2-3-5-13(10)18/h2-8,18H,1H3
InChIKeyZPGKGVJDISECNN-UHFFFAOYSA-N
XLogP2.13
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzotriazol-1-yl-(3,5-dihydroxyphenyl)methanone
CID 51041823
Benzotriazol-1-yl-(4-hydroxyphenyl)methanone
CID 3708210
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-Hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone
CID 11782023
2-(Benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone
CID 155520978
2-(5,6-Dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone
CID 155564904
[5-[2-(Benzotriazol-1-yl)ethyl]tetrazol-2-yl]-(2-hydroxyphenyl)methanone
CID 16076174
Benzotriazol-1-yl-(2,6-dimethoxyphenyl)methanone
CID 771947

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone?
The IUPAC name of (2-hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone (CID 10243969) is (2-hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone.
What is the SMILES notation for (2-hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone?
The canonical SMILES for (2-hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone is Cc1ccc2c(c1)nnn2C(=O)c1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone?
The InChIKey is ZPGKGVJDISECNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-6-7-12-11(8-9)15-16-17(12)14(19)10-4-2-3-5-13(10)18/h2-8,18H,1H3.
What are the key properties of (2-hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone?
(2-hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone has a molecular weight of 253.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone is sourced from PubChem (CID 10243969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).