[2-(benzotriazol-2-yl)-4-ethylphenyl] acetate

C16H15N3O2 — CID 54264242

IUPAC[2-(benzotriazol-2-yl)-4-ethylphenyl] acetate
SMILESCCc1ccc(OC(C)=O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C16H15N3O2/c1-3-12-8-9-16(21-11(2)20)15(10-12)19-17-13-6-4-5-7-14(13)18-19/h4-10H,3H2,1-2H3
InChIKeyRFQDMPWTBDZPOQ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.91
Rot. Bonds3

About [2-(benzotriazol-2-yl)-4-ethylphenyl] acetate

[2-(benzotriazol-2-yl)-4-ethylphenyl] acetate (PubChem CID 54264242) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is [2-(benzotriazol-2-yl)-4-ethylphenyl] acetate.

Molecular Properties

Compound Name[2-(benzotriazol-2-yl)-4-ethylphenyl] acetate
PubChem CID54264242
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name[2-(benzotriazol-2-yl)-4-ethylphenyl] acetate
SMILESCCc1ccc(OC(C)=O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C16H15N3O2/c1-3-12-8-9-16(21-11(2)20)15(10-12)19-17-13-6-4-5-7-14(13)18-19/h4-10H,3H2,1-2H3
InChIKeyRFQDMPWTBDZPOQ-UHFFFAOYSA-N
XLogP2.91
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-Propenoic acid, 2-methyl-, 2-[3-(2H-benzotriazol-2-yl)-4-hydroxyphenyl]ethyl ester
CID 726893
2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate
CID 702159
2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl phenoxyacetate
CID 1217265
2-(2-ethoxy-5-methylphenyl)-2H-benzotriazole
CID 717829
2-(2-Methoxy-5-methylphenyl)benzotriazole
CID 576258
2-[2-(2,4-dimethylphenoxy)ethyl]-2H-1,2,3-benzotriazole
CID 803812
2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 3-nitrobenzoate
CID 1418761
o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester
CID 1548530
[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]acetic acid
CID 675533
methyl [2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]acetate
CID 1506416
2,2-Dimethyl-3-[4-(5-methylbenzotriazol-2-yl)phenoxy]propanoic acid
CID 127034829
2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl furan-2-carboxylate
CID 565191

Frequently Asked Questions

What is the IUPAC name of [2-(benzotriazol-2-yl)-4-ethylphenyl] acetate?
The IUPAC name of [2-(benzotriazol-2-yl)-4-ethylphenyl] acetate (CID 54264242) is [2-(benzotriazol-2-yl)-4-ethylphenyl] acetate.
What is the SMILES notation for [2-(benzotriazol-2-yl)-4-ethylphenyl] acetate?
The canonical SMILES for [2-(benzotriazol-2-yl)-4-ethylphenyl] acetate is CCc1ccc(OC(C)=O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of [2-(benzotriazol-2-yl)-4-ethylphenyl] acetate?
The InChIKey is RFQDMPWTBDZPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-3-12-8-9-16(21-11(2)20)15(10-12)19-17-13-6-4-5-7-14(13)18-19/h4-10H,3H2,1-2H3.
What are the key properties of [2-(benzotriazol-2-yl)-4-ethylphenyl] acetate?
[2-(benzotriazol-2-yl)-4-ethylphenyl] acetate has a molecular weight of 281.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzotriazol-2-yl)-4-ethylphenyl] acetate is sourced from PubChem (CID 54264242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).