methyl 2-acetyloxy-2-phenylacetate

C11H12O4 — CID 538874

IUPACmethyl 2-acetyloxy-2-phenylacetate
SMILESCOC(=O)C(OC(C)=O)c1ccccc1
InChIInChI=1S/C11H12O4/c1-8(12)15-10(11(13)14-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChIKeySFGOUECCROBXPW-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.46
Rot. Bonds3

About methyl 2-acetyloxy-2-phenylacetate

methyl 2-acetyloxy-2-phenylacetate (PubChem CID 538874) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is methyl 2-acetyloxy-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-acetyloxy-2-phenylacetate
PubChem CID538874
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Namemethyl 2-acetyloxy-2-phenylacetate
SMILESCOC(=O)C(OC(C)=O)c1ccccc1
InChIInChI=1S/C11H12O4/c1-8(12)15-10(11(13)14-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChIKeySFGOUECCROBXPW-UHFFFAOYSA-N
XLogP1.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetyloxy-2-phenylacetate?
The IUPAC name of methyl 2-acetyloxy-2-phenylacetate (CID 538874) is methyl 2-acetyloxy-2-phenylacetate.
What is the SMILES notation for methyl 2-acetyloxy-2-phenylacetate?
The canonical SMILES for methyl 2-acetyloxy-2-phenylacetate is COC(=O)C(OC(C)=O)c1ccccc1.
What is the InChIKey of methyl 2-acetyloxy-2-phenylacetate?
The InChIKey is SFGOUECCROBXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-8(12)15-10(11(13)14-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3.
What are the key properties of methyl 2-acetyloxy-2-phenylacetate?
methyl 2-acetyloxy-2-phenylacetate has a molecular weight of 208.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetyloxy-2-phenylacetate is sourced from PubChem (CID 538874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).