methyl 2-[4-(acetyloxymethyl)phenyl]acetate

C12H14O4 — CID 14793789

IUPACmethyl 2-[4-(acetyloxymethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(COC(C)=O)cc1
InChIInChI=1S/C12H14O4/c1-9(13)16-8-11-5-3-10(4-6-11)7-12(14)15-2/h3-6H,7-8H2,1-2H3
InChIKeyWCUODKGFMIIVKA-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.47
Rot. Bonds4

About methyl 2-[4-(acetyloxymethyl)phenyl]acetate

methyl 2-[4-(acetyloxymethyl)phenyl]acetate (PubChem CID 14793789) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 2-[4-(acetyloxymethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(acetyloxymethyl)phenyl]acetate
PubChem CID14793789
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Namemethyl 2-[4-(acetyloxymethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(COC(C)=O)cc1
InChIInChI=1S/C12H14O4/c1-9(13)16-8-11-5-3-10(4-6-11)7-12(14)15-2/h3-6H,7-8H2,1-2H3
InChIKeyWCUODKGFMIIVKA-UHFFFAOYSA-N
XLogP1.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-(acetyloxymethyl)phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(acetyloxymethyl)phenyl]acetic acid
CID 15224349
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
(4-hydrazinylphenyl)methyl acetate
CID 123892480
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
CID 90816966
CID 90816966
(4-fluorophenyl)methyl acetate
CID 14793785
2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate
CID 159047656
benzyl acetate
CID 8785
potassium [4-(acetyloxymethyl)phenyl]azanide
CID 177177546
methyl 2-[4-(methylaminomethyl)phenyl]acetate
CID 23594251
sodium 4-(2-methoxy-2-oxoethyl)phenolate
CID 70152543
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(acetyloxymethyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(acetyloxymethyl)phenyl]acetate (CID 14793789) is methyl 2-[4-(acetyloxymethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(acetyloxymethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(acetyloxymethyl)phenyl]acetate is COC(=O)Cc1ccc(COC(C)=O)cc1.
What is the InChIKey of methyl 2-[4-(acetyloxymethyl)phenyl]acetate?
The InChIKey is WCUODKGFMIIVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-9(13)16-8-11-5-3-10(4-6-11)7-12(14)15-2/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 2-[4-(acetyloxymethyl)phenyl]acetate?
methyl 2-[4-(acetyloxymethyl)phenyl]acetate has a molecular weight of 222.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(acetyloxymethyl)phenyl]acetate is sourced from PubChem (CID 14793789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).