(3-acetyloxy-2-phenyldiazenylphenyl) acetate

C16H14N2O4 — CID 134935103

IUPAC(3-acetyloxy-2-phenyldiazenylphenyl) acetate
SMILESCC(=O)Oc1cccc(OC(C)=O)c1/N=N/c1ccccc1
InChIInChI=1S/C16H14N2O4/c1-11(19)21-14-9-6-10-15(22-12(2)20)16(14)18-17-13-7-4-3-5-8-13/h3-10H,1-2H3/b18-17+
InChIKeyWUXVMAYCJFPJMU-ISLYRVAYSA-N
MW298.30 g/mol
LogP3.95
Rot. Bonds4

About (3-acetyloxy-2-phenyldiazenylphenyl) acetate

(3-acetyloxy-2-phenyldiazenylphenyl) acetate (PubChem CID 134935103) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is (3-acetyloxy-2-phenyldiazenylphenyl) acetate.

Molecular Properties

Compound Name(3-acetyloxy-2-phenyldiazenylphenyl) acetate
PubChem CID134935103
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name(3-acetyloxy-2-phenyldiazenylphenyl) acetate
SMILESCC(=O)Oc1cccc(OC(C)=O)c1/N=N/c1ccccc1
InChIInChI=1S/C16H14N2O4/c1-11(19)21-14-9-6-10-15(22-12(2)20)16(14)18-17-13-7-4-3-5-8-13/h3-10H,1-2H3/b18-17+
InChIKeyWUXVMAYCJFPJMU-ISLYRVAYSA-N
XLogP3.95
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-nitrooxy-2-phenyldiazenylphenyl) nitrate
CID 175370565
2,6-diacetyloxybenzoic acid
CID 10007406
[2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate
CID 172876417
[6-diphenylphosphanyl-1-[(4-methylphenyl)diazenyl]naphthalen-2-yl] acetate
CID 5256996
triphenylen-1-yl acetate
CID 87276472
(2-trimethylsilylphenyl) acetate
CID 13101762
sodium;2-acetyloxybenzoate;carbonic acid
CID 66790092
diphenyldiazene;urea
CID 175083568
2-acetyloxybenzoic acid;ethene
CID 67877309
potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
[2-[2-acetyloxy-6-(trifluoromethyl)phenyl]phenyl] acetate
CID 135057575
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177

Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-2-phenyldiazenylphenyl) acetate?
The IUPAC name of (3-acetyloxy-2-phenyldiazenylphenyl) acetate (CID 134935103) is (3-acetyloxy-2-phenyldiazenylphenyl) acetate.
What is the SMILES notation for (3-acetyloxy-2-phenyldiazenylphenyl) acetate?
The canonical SMILES for (3-acetyloxy-2-phenyldiazenylphenyl) acetate is CC(=O)Oc1cccc(OC(C)=O)c1/N=N/c1ccccc1.
What is the InChIKey of (3-acetyloxy-2-phenyldiazenylphenyl) acetate?
The InChIKey is WUXVMAYCJFPJMU-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-11(19)21-14-9-6-10-15(22-12(2)20)16(14)18-17-13-7-4-3-5-8-13/h3-10H,1-2H3/b18-17+.
What are the key properties of (3-acetyloxy-2-phenyldiazenylphenyl) acetate?
(3-acetyloxy-2-phenyldiazenylphenyl) acetate has a molecular weight of 298.30 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-2-phenyldiazenylphenyl) acetate is sourced from PubChem (CID 134935103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).