methyl 2-(propanoyloxymethyl)benzoate

C12H14O4 — CID 20717774

IUPACmethyl 2-(propanoyloxymethyl)benzoate
SMILESCCC(=O)OCc1ccccc1C(=O)OC
InChIInChI=1S/C12H14O4/c1-3-11(13)16-8-9-6-4-5-7-10(9)12(14)15-2/h4-7H,3,8H2,1-2H3
InChIKeyNZVCFNGFTDMFKU-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.93
Rot. Bonds4

About methyl 2-(propanoyloxymethyl)benzoate

methyl 2-(propanoyloxymethyl)benzoate (PubChem CID 20717774) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 2-(propanoyloxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(propanoyloxymethyl)benzoate
PubChem CID20717774
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Namemethyl 2-(propanoyloxymethyl)benzoate
SMILESCCC(=O)OCc1ccccc1C(=O)OC
InChIInChI=1S/C12H14O4/c1-3-11(13)16-8-9-6-4-5-7-10(9)12(14)15-2/h4-7H,3,8H2,1-2H3
InChIKeyNZVCFNGFTDMFKU-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-O-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 58658121
methane;methyl 2-propylbenzoate
CID 167647144
ethane;methyl 2-(bromomethyl)benzoate
CID 90986523
ethane;methyl 2-(bromomethyl)benzoate
CID 90979154
naphthalen-1-ylmethyl propanoate
CID 13262702
benzyl propanoate;methyl benzoate
CID 70307580
methyl 2-[(2-methoxyphenoxy)methyl]benzoate
CID 82975589
diethyl 3-[(2-methoxycarbonylbenzoyl)oxymethyl]benzene-1,2-dicarboxylate
CID 155452030
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
methyl 2-(methylsulfanylmethyl)benzoate
CID 22072820
methyl 2-[5-(2-methoxycarbonylphenyl)-3-oxopentyl]benzoate
CID 19922194

Frequently Asked Questions

What is the IUPAC name of methyl 2-(propanoyloxymethyl)benzoate?
The IUPAC name of methyl 2-(propanoyloxymethyl)benzoate (CID 20717774) is methyl 2-(propanoyloxymethyl)benzoate.
What is the SMILES notation for methyl 2-(propanoyloxymethyl)benzoate?
The canonical SMILES for methyl 2-(propanoyloxymethyl)benzoate is CCC(=O)OCc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-(propanoyloxymethyl)benzoate?
The InChIKey is NZVCFNGFTDMFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-3-11(13)16-8-9-6-4-5-7-10(9)12(14)15-2/h4-7H,3,8H2,1-2H3.
What are the key properties of methyl 2-(propanoyloxymethyl)benzoate?
methyl 2-(propanoyloxymethyl)benzoate has a molecular weight of 222.24 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(propanoyloxymethyl)benzoate is sourced from PubChem (CID 20717774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).