acetyloxymethyl 2-phenylacetate

C11H12O4 — CID 121486345

IUPACacetyloxymethyl 2-phenylacetate
SMILESCC(=O)OCOC(=O)Cc1ccccc1
InChIInChI=1S/C11H12O4/c1-9(12)14-8-15-11(13)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyPRTPXKROYYHQGS-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.29
Rot. Bonds4

About acetyloxymethyl 2-phenylacetate

acetyloxymethyl 2-phenylacetate (PubChem CID 121486345) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is acetyloxymethyl 2-phenylacetate.

Molecular Properties

Compound Nameacetyloxymethyl 2-phenylacetate
PubChem CID121486345
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Nameacetyloxymethyl 2-phenylacetate
SMILESCC(=O)OCOC(=O)Cc1ccccc1
InChIInChI=1S/C11H12O4/c1-9(12)14-8-15-11(13)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyPRTPXKROYYHQGS-UHFFFAOYSA-N
XLogP1.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
benzyl acetate
CID 8785
diaminomethylidenecarbamoyloxymethyl 2-phenylacetate
CID 146031564
4-(2-phenylacetyl)oxybut-2-enyl 2-phenylacetate
CID 139775168
benzyl 2-(4-acetylphenyl)acetate
CID 121231799
2-acetamidoethyl 2-phenylacetate
CID 139889118
CID 172801156
CID 172801156
3-methylbutyl 2-phenylacetate
CID 7600
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
benzyl acetate;carbamic acid
CID 159542161
(2-phenylacetyl) propanoate
CID 91029268

Frequently Asked Questions

What is the IUPAC name of acetyloxymethyl 2-phenylacetate?
The IUPAC name of acetyloxymethyl 2-phenylacetate (CID 121486345) is acetyloxymethyl 2-phenylacetate.
What is the SMILES notation for acetyloxymethyl 2-phenylacetate?
The canonical SMILES for acetyloxymethyl 2-phenylacetate is CC(=O)OCOC(=O)Cc1ccccc1.
What is the InChIKey of acetyloxymethyl 2-phenylacetate?
The InChIKey is PRTPXKROYYHQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-9(12)14-8-15-11(13)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3.
What are the key properties of acetyloxymethyl 2-phenylacetate?
acetyloxymethyl 2-phenylacetate has a molecular weight of 208.21 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethyl 2-phenylacetate is sourced from PubChem (CID 121486345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).