ethyl 5-(benzotriazol-2-yl)-2-hydroxybenzoate

C15H13N3O3 — CID 14243363

IUPACethyl 5-(benzotriazol-2-yl)-2-hydroxybenzoate
SMILESCCOC(=O)c1cc(-n2nc3ccccc3n2)ccc1O
InChIInChI=1S/C15H13N3O3/c1-2-21-15(20)11-9-10(7-8-14(11)19)18-16-12-5-3-4-6-13(12)17-18/h3-9,19H,2H2,1H3
InChIKeyTZUOOHVVBULKDC-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.30
Rot. Bonds3

About ethyl 5-(benzotriazol-2-yl)-2-hydroxybenzoate

ethyl 5-(benzotriazol-2-yl)-2-hydroxybenzoate (PubChem CID 14243363) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is ethyl 5-(benzotriazol-2-yl)-2-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 5-(benzotriazol-2-yl)-2-hydroxybenzoate
PubChem CID14243363
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Nameethyl 5-(benzotriazol-2-yl)-2-hydroxybenzoate
SMILESCCOC(=O)c1cc(-n2nc3ccccc3n2)ccc1O
InChIInChI=1S/C15H13N3O3/c1-2-21-15(20)11-9-10(7-8-14(11)19)18-16-12-5-3-4-6-13(12)17-18/h3-9,19H,2H2,1H3
InChIKeyTZUOOHVVBULKDC-UHFFFAOYSA-N
XLogP2.30
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-Methoxy-1H-benzotriazole-5-carboxylic acid
CID 101018
3-(2H-Benzotriazol-2-yl)-2-hydroxy-5-methylbenzaldehyde
CID 102584484
2-(5-Carboxy-2,4-dihydroxyphenyl) benzotriazole
CID 118542719
2(2,4-Dihydroxy-5-acetylphenyl)2h-benzotriazole
CID 102011466
2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 2-methoxybenzoate
CID 998115
Methyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate
CID 13000705
Hexyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate
CID 13000706
5-(2H-Benzotriazol-2-yl)-salicylic acid
CID 14243362
Butyl 2-(2-hydroxy-3-methylphenyl)benzotriazole-5-carboxylate
CID 18466255
3-(Benzotriazol-2-yl)-2-hydroxybenzoic acid
CID 18521145
Ethyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate
CID 19854337
5-(Benzotriazol-2-yl)-4-hydroxybenzene-1,3-dicarboxylic acid
CID 19982510

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(benzotriazol-2-yl)-2-hydroxybenzoate?
The IUPAC name of ethyl 5-(benzotriazol-2-yl)-2-hydroxybenzoate (CID 14243363) is ethyl 5-(benzotriazol-2-yl)-2-hydroxybenzoate.
What is the SMILES notation for ethyl 5-(benzotriazol-2-yl)-2-hydroxybenzoate?
The canonical SMILES for ethyl 5-(benzotriazol-2-yl)-2-hydroxybenzoate is CCOC(=O)c1cc(-n2nc3ccccc3n2)ccc1O.
What is the InChIKey of ethyl 5-(benzotriazol-2-yl)-2-hydroxybenzoate?
The InChIKey is TZUOOHVVBULKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-2-21-15(20)11-9-10(7-8-14(11)19)18-16-12-5-3-4-6-13(12)17-18/h3-9,19H,2H2,1H3.
What are the key properties of ethyl 5-(benzotriazol-2-yl)-2-hydroxybenzoate?
ethyl 5-(benzotriazol-2-yl)-2-hydroxybenzoate has a molecular weight of 283.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(benzotriazol-2-yl)-2-hydroxybenzoate is sourced from PubChem (CID 14243363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).