ethyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate

C15H13N3O3 — CID 19854337

IUPACethyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate
SMILESCCOC(=O)c1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C15H13N3O3/c1-2-21-15(20)10-7-8-14(19)13(9-10)18-16-11-5-3-4-6-12(11)17-18/h3-9,19H,2H2,1H3
InChIKeyZRYVERQQCJUPID-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.30
Rot. Bonds3

About ethyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate

ethyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate (PubChem CID 19854337) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is ethyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate
PubChem CID19854337
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Nameethyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate
SMILESCCOC(=O)c1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C15H13N3O3/c1-2-21-15(20)10-7-8-14(19)13(9-10)18-16-11-5-3-4-6-12(11)17-18/h3-9,19H,2H2,1H3
InChIKeyZRYVERQQCJUPID-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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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate?
The IUPAC name of ethyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate (CID 19854337) is ethyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate.
What is the SMILES notation for ethyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate?
The canonical SMILES for ethyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate is CCOC(=O)c1ccc(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of ethyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate?
The InChIKey is ZRYVERQQCJUPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-2-21-15(20)10-7-8-14(19)13(9-10)18-16-11-5-3-4-6-12(11)17-18/h3-9,19H,2H2,1H3.
What are the key properties of ethyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate?
ethyl 3-(benzotriazol-2-yl)-4-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 3-(benzotriazol-2-yl)-4-hydroxybenzoate is sourced from PubChem (CID 19854337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).