(2-acetylphenyl) 2-(2-methylphenoxy)acetate

C17H16O4 — CID 15211367

IUPAC(2-acetylphenyl) 2-(2-methylphenoxy)acetate
SMILESCC(=O)c1ccccc1OC(=O)COc1ccccc1C
InChIInChI=1S/C17H16O4/c1-12-7-3-5-9-15(12)20-11-17(19)21-16-10-6-4-8-14(16)13(2)18/h3-10H,11H2,1-2H3
InChIKeyHOBHQBIKLBAVDH-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.18
Rot. Bonds5

About (2-acetylphenyl) 2-(2-methylphenoxy)acetate

(2-acetylphenyl) 2-(2-methylphenoxy)acetate (PubChem CID 15211367) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2-acetylphenyl) 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name(2-acetylphenyl) 2-(2-methylphenoxy)acetate
PubChem CID15211367
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name(2-acetylphenyl) 2-(2-methylphenoxy)acetate
SMILESCC(=O)c1ccccc1OC(=O)COc1ccccc1C
InChIInChI=1S/C17H16O4/c1-12-7-3-5-9-15(12)20-11-17(19)21-16-10-6-4-8-14(16)13(2)18/h3-10H,11H2,1-2H3
InChIKeyHOBHQBIKLBAVDH-UHFFFAOYSA-N
XLogP3.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.18
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-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
CID 2180640
(2-acetylphenyl) 2-bromoacetate
CID 58158821
(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate
CID 19172654
methyl 5-chloro-2-[2-(2-methylphenoxy)acetyl]oxybenzoate
CID 40597884
(2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate
CID 19179491
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
propyl 2-(2-acetylphenoxy)acetate
CID 82312019
(2-acetylphenyl) methyl carbonate
CID 14493761
[2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate
CID 23996757
sodium 2-(2-acetylphenoxy)acetate
CID 23600043
(2-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19178987
butyl 2-[2-(2-acetylphenoxy)-2-oxoethoxy]acetate
CID 91710355

Frequently Asked Questions

What is the IUPAC name of (2-acetylphenyl) 2-(2-methylphenoxy)acetate?
The IUPAC name of (2-acetylphenyl) 2-(2-methylphenoxy)acetate (CID 15211367) is (2-acetylphenyl) 2-(2-methylphenoxy)acetate.
What is the SMILES notation for (2-acetylphenyl) 2-(2-methylphenoxy)acetate?
The canonical SMILES for (2-acetylphenyl) 2-(2-methylphenoxy)acetate is CC(=O)c1ccccc1OC(=O)COc1ccccc1C.
What is the InChIKey of (2-acetylphenyl) 2-(2-methylphenoxy)acetate?
The InChIKey is HOBHQBIKLBAVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-12-7-3-5-9-15(12)20-11-17(19)21-16-10-6-4-8-14(16)13(2)18/h3-10H,11H2,1-2H3.
What are the key properties of (2-acetylphenyl) 2-(2-methylphenoxy)acetate?
(2-acetylphenyl) 2-(2-methylphenoxy)acetate has a molecular weight of 284.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetylphenyl) 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 15211367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).