[3-(tetrazol-1-yl)phenyl] 2-phenylacetate

C15H12N4O2 — CID 856193

IUPAC[3-(tetrazol-1-yl)phenyl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H12N4O2/c20-15(9-12-5-2-1-3-6-12)21-14-8-4-7-13(10-14)19-11-16-17-18-19/h1-8,10-11H,9H2
InChIKeyWUUGDPAUBUSJGY-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.81
Rot. Bonds4

About [3-(tetrazol-1-yl)phenyl] 2-phenylacetate

[3-(tetrazol-1-yl)phenyl] 2-phenylacetate (PubChem CID 856193) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is [3-(tetrazol-1-yl)phenyl] 2-phenylacetate.

Molecular Properties

Compound Name[3-(tetrazol-1-yl)phenyl] 2-phenylacetate
PubChem CID856193
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name[3-(tetrazol-1-yl)phenyl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H12N4O2/c20-15(9-12-5-2-1-3-6-12)21-14-8-4-7-13(10-14)19-11-16-17-18-19/h1-8,10-11H,9H2
InChIKeyWUUGDPAUBUSJGY-UHFFFAOYSA-N
XLogP1.81
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexanecarboxylic acid 3-tetrazol-1-yl-phenyl ester
CID 647260
4-(1H-tetraazol-1-yl)phenyl benzoate
CID 856197
3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate
CID 856194
[3-(Tetrazol-1-yl)phenyl] 2-chlorobenzoate
CID 856195
[2-(4-Ethoxyphenyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 8351751
4-Tetrazol-1-yl-benzoic acid phenyl ester
CID 646598
(2-Ethoxyphenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 2567904
2-(4-Methoxyphenoxy)ethyl 4-(tetrazol-1-yl)benzoate
CID 4882157
[3-(Tetrazol-1-yl)phenyl] benzoate
CID 856196
3-(4-Fluorophenoxy)propyl 4-(tetrazol-1-yl)benzoate
CID 7500723
4-(benzyloxy)phenyl 4-(1H-tetraazol-1-yl)benzoate
CID 1151690
2-Phenoxyethyl 4-(tetrazol-1-yl)benzoate
CID 2535487

Frequently Asked Questions

What is the IUPAC name of [3-(tetrazol-1-yl)phenyl] 2-phenylacetate?
The IUPAC name of [3-(tetrazol-1-yl)phenyl] 2-phenylacetate (CID 856193) is [3-(tetrazol-1-yl)phenyl] 2-phenylacetate.
What is the SMILES notation for [3-(tetrazol-1-yl)phenyl] 2-phenylacetate?
The canonical SMILES for [3-(tetrazol-1-yl)phenyl] 2-phenylacetate is O=C(Cc1ccccc1)Oc1cccc(-n2cnnn2)c1.
What is the InChIKey of [3-(tetrazol-1-yl)phenyl] 2-phenylacetate?
The InChIKey is WUUGDPAUBUSJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-15(9-12-5-2-1-3-6-12)21-14-8-4-7-13(10-14)19-11-16-17-18-19/h1-8,10-11H,9H2.
What are the key properties of [3-(tetrazol-1-yl)phenyl] 2-phenylacetate?
[3-(tetrazol-1-yl)phenyl] 2-phenylacetate has a molecular weight of 280.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(tetrazol-1-yl)phenyl] 2-phenylacetate is sourced from PubChem (CID 856193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).