phenyl 2-acetyloxy-5-methylbenzoate

C16H14O4 — CID 139745245

IUPACphenyl 2-acetyloxy-5-methylbenzoate
SMILESCC(=O)Oc1ccc(C)cc1C(=O)Oc1ccccc1
InChIInChI=1S/C16H14O4/c1-11-8-9-15(19-12(2)17)14(10-11)16(18)20-13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyVKIYNVYLNCBING-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.14
Rot. Bonds3

About phenyl 2-acetyloxy-5-methylbenzoate

phenyl 2-acetyloxy-5-methylbenzoate (PubChem CID 139745245) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is phenyl 2-acetyloxy-5-methylbenzoate.

Molecular Properties

Compound Namephenyl 2-acetyloxy-5-methylbenzoate
PubChem CID139745245
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Namephenyl 2-acetyloxy-5-methylbenzoate
SMILESCC(=O)Oc1ccc(C)cc1C(=O)Oc1ccccc1
InChIInChI=1S/C16H14O4/c1-11-8-9-15(19-12(2)17)14(10-11)16(18)20-13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyVKIYNVYLNCBING-UHFFFAOYSA-N
XLogP3.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-tert-butyl-4-methylbenzoate
CID 141190879
2-O-(3,5-dimethylphenyl) 1-O-phenyl benzene-1,2-dicarboxylate
CID 6425517
(4-formylphenyl) 2,5-diacetyloxybenzoate
CID 11624300
phenyl 4-methyl-2-prop-2-enoyloxybenzoate
CID 89405536
[4-methyl-2-(pyridine-2-carbonyl)phenyl] acetate
CID 102227246
phenyl acetate;hydroiodide
CID 172788123
[4-methyl-2-(2-phenylethynyl)phenyl] acetate
CID 10610675
phenyl 2-acetylbenzoate
CID 102060857
phenyl 2,6-dimethylquinoline-4-carboxylate
CID 18076219
phenyl 5-bromo-2-propan-2-yloxybenzoate
CID 23013210
2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543
[2-[(E)-N-methoxy-C-(2-methylphenoxy)carbonimidoyl]-4-methylphenyl] acetate
CID 87375791

Frequently Asked Questions

What is the IUPAC name of phenyl 2-acetyloxy-5-methylbenzoate?
The IUPAC name of phenyl 2-acetyloxy-5-methylbenzoate (CID 139745245) is phenyl 2-acetyloxy-5-methylbenzoate.
What is the SMILES notation for phenyl 2-acetyloxy-5-methylbenzoate?
The canonical SMILES for phenyl 2-acetyloxy-5-methylbenzoate is CC(=O)Oc1ccc(C)cc1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-acetyloxy-5-methylbenzoate?
The InChIKey is VKIYNVYLNCBING-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-11-8-9-15(19-12(2)17)14(10-11)16(18)20-13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of phenyl 2-acetyloxy-5-methylbenzoate?
phenyl 2-acetyloxy-5-methylbenzoate has a molecular weight of 270.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-acetyloxy-5-methylbenzoate is sourced from PubChem (CID 139745245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).