3-(4-ethylbenzotriazol-2-yl)-4-hydroxybenzoic acid

C15H13N3O3 — CID 175126102

IUPAC3-(4-ethylbenzotriazol-2-yl)-4-hydroxybenzoic acid
SMILESCCc1cccc2nn(-c3cc(C(=O)O)ccc3O)nc12
InChIInChI=1S/C15H13N3O3/c1-2-9-4-3-5-11-14(9)17-18(16-11)12-8-10(15(20)21)6-7-13(12)19/h3-8,19H,2H2,1H3,(H,20,21)
InChIKeyVKPIAEKICQWRAK-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.39
Rot. Bonds3

About 3-(4-ethylbenzotriazol-2-yl)-4-hydroxybenzoic acid

3-(4-ethylbenzotriazol-2-yl)-4-hydroxybenzoic acid (PubChem CID 175126102) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-(4-ethylbenzotriazol-2-yl)-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(4-ethylbenzotriazol-2-yl)-4-hydroxybenzoic acid
PubChem CID175126102
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name3-(4-ethylbenzotriazol-2-yl)-4-hydroxybenzoic acid
SMILESCCc1cccc2nn(-c3cc(C(=O)O)ccc3O)nc12
InChIInChI=1S/C15H13N3O3/c1-2-9-4-3-5-11-14(9)17-18(16-11)12-8-10(15(20)21)6-7-13(12)19/h3-8,19H,2H2,1H3,(H,20,21)
InChIKeyVKPIAEKICQWRAK-UHFFFAOYSA-N
XLogP2.39
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-carboxy-2-hydroxyphenyl)benzotriazole-5-carboxylic acid
CID 19982504
6-propanoyloxyhexyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate
CID 171768345
5-ethyl-2-(2-hydroxy-5-methylphenyl)benzotriazole-4-sulfonic acid
CID 22935695
4-(2-methylprop-2-enoyloxy)butyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate
CID 171768525
1-[2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzotriazol-5-yl]butane-1,2-dione
CID 163901853
2-[4-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 25033003
2-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]-3,3-dimethylbutanoic acid
CID 151419308
3-[5-(benzotriazol-2-yl)-2-butyl-4-hydroxyphenyl]propanoic acid
CID 174424462
[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methanesulfonic acid
CID 139877706
8-ethylnaphthalene-2-carboxylic acid
CID 151555828
2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol
CID 20596233
3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid
CID 70424443

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylbenzotriazol-2-yl)-4-hydroxybenzoic acid?
The IUPAC name of 3-(4-ethylbenzotriazol-2-yl)-4-hydroxybenzoic acid (CID 175126102) is 3-(4-ethylbenzotriazol-2-yl)-4-hydroxybenzoic acid.
What is the SMILES notation for 3-(4-ethylbenzotriazol-2-yl)-4-hydroxybenzoic acid?
The canonical SMILES for 3-(4-ethylbenzotriazol-2-yl)-4-hydroxybenzoic acid is CCc1cccc2nn(-c3cc(C(=O)O)ccc3O)nc12.
What is the InChIKey of 3-(4-ethylbenzotriazol-2-yl)-4-hydroxybenzoic acid?
The InChIKey is VKPIAEKICQWRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-2-9-4-3-5-11-14(9)17-18(16-11)12-8-10(15(20)21)6-7-13(12)19/h3-8,19H,2H2,1H3,(H,20,21).
What are the key properties of 3-(4-ethylbenzotriazol-2-yl)-4-hydroxybenzoic acid?
3-(4-ethylbenzotriazol-2-yl)-4-hydroxybenzoic acid has a molecular weight of 283.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylbenzotriazol-2-yl)-4-hydroxybenzoic acid is sourced from PubChem (CID 175126102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).