benzotriazol-1-yl-(2-hydroxy-3-methylphenyl)methanone

C14H11N3O2 — CID 11572395

IUPACbenzotriazol-1-yl-(2-hydroxy-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)n2nnc3ccccc32)c1O
InChIInChI=1S/C14H11N3O2/c1-9-5-4-6-10(13(9)18)14(19)17-12-8-3-2-7-11(12)15-16-17/h2-8,18H,1H3
InChIKeyUZMFKHXVXPTMQC-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.13
Rot. Bonds1

About benzotriazol-1-yl-(2-hydroxy-3-methylphenyl)methanone

benzotriazol-1-yl-(2-hydroxy-3-methylphenyl)methanone (PubChem CID 11572395) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is benzotriazol-1-yl-(2-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-(2-hydroxy-3-methylphenyl)methanone
PubChem CID11572395
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Namebenzotriazol-1-yl-(2-hydroxy-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)n2nnc3ccccc32)c1O
InChIInChI=1S/C14H11N3O2/c1-9-5-4-6-10(13(9)18)14(19)17-12-8-3-2-7-11(12)15-16-17/h2-8,18H,1H3
InChIKeyUZMFKHXVXPTMQC-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
(2-Hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone
CID 10243969
2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol
CID 3696191
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

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(2-hydroxy-3-methylphenyl)methanone?
The IUPAC name of benzotriazol-1-yl-(2-hydroxy-3-methylphenyl)methanone (CID 11572395) is benzotriazol-1-yl-(2-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for benzotriazol-1-yl-(2-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for benzotriazol-1-yl-(2-hydroxy-3-methylphenyl)methanone is Cc1cccc(C(=O)n2nnc3ccccc32)c1O.
What is the InChIKey of benzotriazol-1-yl-(2-hydroxy-3-methylphenyl)methanone?
The InChIKey is UZMFKHXVXPTMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-5-4-6-10(13(9)18)14(19)17-12-8-3-2-7-11(12)15-16-17/h2-8,18H,1H3.
What are the key properties of benzotriazol-1-yl-(2-hydroxy-3-methylphenyl)methanone?
benzotriazol-1-yl-(2-hydroxy-3-methylphenyl)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 benzotriazol-1-yl-(2-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 11572395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).