methyl 2-(3-acetyloxyphenoxy)acetate

C11H12O5 — CID 20717761

IUPACmethyl 2-(3-acetyloxyphenoxy)acetate
SMILESCOC(=O)COc1cccc(OC(C)=O)c1
InChIInChI=1S/C11H12O5/c1-8(12)16-10-5-3-4-9(6-10)15-7-11(13)14-2/h3-6H,7H2,1-2H3
InChIKeyBHRRFEXEEXVRQN-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.16
Rot. Bonds4

About methyl 2-(3-acetyloxyphenoxy)acetate

methyl 2-(3-acetyloxyphenoxy)acetate (PubChem CID 20717761) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is methyl 2-(3-acetyloxyphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(3-acetyloxyphenoxy)acetate
PubChem CID20717761
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Namemethyl 2-(3-acetyloxyphenoxy)acetate
SMILESCOC(=O)COc1cccc(OC(C)=O)c1
InChIInChI=1S/C11H12O5/c1-8(12)16-10-5-3-4-9(6-10)15-7-11(13)14-2/h3-6H,7H2,1-2H3
InChIKeyBHRRFEXEEXVRQN-UHFFFAOYSA-N
XLogP1.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl 2-[3-[[3-(2-methoxy-2-oxoethoxy)phenyl]disulfanyl]phenoxy]acetate
CID 171804931
methyl 2-(3-phosphorosophenoxy)acetate
CID 118226316
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate
CID 60882225
methyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate
CID 14995071
methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate
CID 59419918
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990
methyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate
CID 139707056
methyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate
CID 18619218
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
CID 973408
[3-[(2-phenoxyacetyl)amino]phenyl] acetate
CID 6472442
methyl 3-acetyloxybenzoate
CID 577969

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-acetyloxyphenoxy)acetate?
The IUPAC name of methyl 2-(3-acetyloxyphenoxy)acetate (CID 20717761) is methyl 2-(3-acetyloxyphenoxy)acetate.
What is the SMILES notation for methyl 2-(3-acetyloxyphenoxy)acetate?
The canonical SMILES for methyl 2-(3-acetyloxyphenoxy)acetate is COC(=O)COc1cccc(OC(C)=O)c1.
What is the InChIKey of methyl 2-(3-acetyloxyphenoxy)acetate?
The InChIKey is BHRRFEXEEXVRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-8(12)16-10-5-3-4-9(6-10)15-7-11(13)14-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-(3-acetyloxyphenoxy)acetate?
methyl 2-(3-acetyloxyphenoxy)acetate has a molecular weight of 224.21 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-acetyloxyphenoxy)acetate is sourced from PubChem (CID 20717761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).