(4-methylphenyl) 2-(4-acetyloxyphenyl)acetate

C17H16O4 — CID 167274281

IUPAC(4-methylphenyl) 2-(4-acetyloxyphenyl)acetate
SMILESCC(=O)Oc1ccc(CC(=O)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C17H16O4/c1-12-3-7-16(8-4-12)21-17(19)11-14-5-9-15(10-6-14)20-13(2)18/h3-10H,11H2,1-2H3
InChIKeyWVFDOBKZCJIBAM-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.07
Rot. Bonds4

About (4-methylphenyl) 2-(4-acetyloxyphenyl)acetate

(4-methylphenyl) 2-(4-acetyloxyphenyl)acetate (PubChem CID 167274281) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is (4-methylphenyl) 2-(4-acetyloxyphenyl)acetate.

Molecular Properties

Compound Name(4-methylphenyl) 2-(4-acetyloxyphenyl)acetate
PubChem CID167274281
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name(4-methylphenyl) 2-(4-acetyloxyphenyl)acetate
SMILESCC(=O)Oc1ccc(CC(=O)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C17H16O4/c1-12-3-7-16(8-4-12)21-17(19)11-14-5-9-15(10-6-14)20-13(2)18/h3-10H,11H2,1-2H3
InChIKeyWVFDOBKZCJIBAM-UHFFFAOYSA-N
XLogP3.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.07
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

(4-methylphenyl) acetate;zinc
CID 159589232
(4-acetyloxyphenyl)-methyl-[(4-methylphenyl)methyl]sulfanium
CID 87630302
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
bis(4-methylphenyl) butanedioate
CID 14740597
[4-[2-(4-methylphenoxy)carbonyloxyethyl]phenyl] acetate
CID 122492472
[4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate
CID 123825546
[4-[[(4-acetyloxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenyl] acetate
CID 22925936
[4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate
CID 854746
[4-(3-methyl-2-oxobutyl)phenyl] acetate
CID 129154972
bis(4-methylphenyl) hexanedioate
CID 521615
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate
CID 33186337
ethane;[4-(3-methyl-2-oxobutyl)phenyl] acetate
CID 163399694

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 2-(4-acetyloxyphenyl)acetate?
The IUPAC name of (4-methylphenyl) 2-(4-acetyloxyphenyl)acetate (CID 167274281) is (4-methylphenyl) 2-(4-acetyloxyphenyl)acetate.
What is the SMILES notation for (4-methylphenyl) 2-(4-acetyloxyphenyl)acetate?
The canonical SMILES for (4-methylphenyl) 2-(4-acetyloxyphenyl)acetate is CC(=O)Oc1ccc(CC(=O)Oc2ccc(C)cc2)cc1.
What is the InChIKey of (4-methylphenyl) 2-(4-acetyloxyphenyl)acetate?
The InChIKey is WVFDOBKZCJIBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-12-3-7-16(8-4-12)21-17(19)11-14-5-9-15(10-6-14)20-13(2)18/h3-10H,11H2,1-2H3.
What are the key properties of (4-methylphenyl) 2-(4-acetyloxyphenyl)acetate?
(4-methylphenyl) 2-(4-acetyloxyphenyl)acetate has a molecular weight of 284.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 2-(4-acetyloxyphenyl)acetate is sourced from PubChem (CID 167274281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).