(2-acetyloxyphenyl)methyl acetate

C11H12O4 — CID 10889107

IUPAC(2-acetyloxyphenyl)methyl acetate
SMILESCC(=O)OCc1ccccc1OC(C)=O
InChIInChI=1S/C11H12O4/c1-8(12)14-7-10-5-3-4-6-11(10)15-9(2)13/h3-6H,7H2,1-2H3
InChIKeyBXMVDJREQOBWDE-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.67
Rot. Bonds3

About (2-acetyloxyphenyl)methyl acetate

(2-acetyloxyphenyl)methyl acetate (PubChem CID 10889107) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is (2-acetyloxyphenyl)methyl acetate.

Molecular Properties

Compound Name(2-acetyloxyphenyl)methyl acetate
PubChem CID10889107
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name(2-acetyloxyphenyl)methyl acetate
SMILESCC(=O)OCc1ccccc1OC(C)=O
InChIInChI=1S/C11H12O4/c1-8(12)14-7-10-5-3-4-6-11(10)15-9(2)13/h3-6H,7H2,1-2H3
InChIKeyBXMVDJREQOBWDE-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
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

[2-(acetyloxymethyl)phenyl] 2-methylpropanoate
CID 170949242
[2-(aminomethyl)phenyl] acetate;oxalic acid
CID 70035962
[2-(2-chloro-2-oxoethyl)phenyl] acetate
CID 22613781
[2-[4-(2-acetyloxyphenyl)but-2-enyl]phenyl] acetate
CID 123328089
[2-(2,2-dimethylpropyl)phenyl] acetate
CID 167209036
[2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate
CID 15535714
ethane;(2-methylphenyl)methyl acetate
CID 143177732
[2-(bromomethyl)phenyl]methyl acetate
CID 14921817
(2-sulfanylphenyl)methyl acetate
CID 118370744
(2-acetyloxy-5-methoxyphenyl)methyl acetate
CID 14531143
(2-propylphenyl)methyl acetate
CID 18363688
(2-prop-2-enylphenyl) acetate;dihydrobromide
CID 70043796

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxyphenyl)methyl acetate?
The IUPAC name of (2-acetyloxyphenyl)methyl acetate (CID 10889107) is (2-acetyloxyphenyl)methyl acetate.
What is the SMILES notation for (2-acetyloxyphenyl)methyl acetate?
The canonical SMILES for (2-acetyloxyphenyl)methyl acetate is CC(=O)OCc1ccccc1OC(C)=O.
What is the InChIKey of (2-acetyloxyphenyl)methyl acetate?
The InChIKey is BXMVDJREQOBWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-8(12)14-7-10-5-3-4-6-11(10)15-9(2)13/h3-6H,7H2,1-2H3.
What are the key properties of (2-acetyloxyphenyl)methyl acetate?
(2-acetyloxyphenyl)methyl acetate has a molecular weight of 208.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxyphenyl)methyl acetate is sourced from PubChem (CID 10889107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).