methyl 2-(2-acetyloxy-3-methylphenyl)-2-ethoxyacetate

C14H18O5 — CID 150674648

IUPACmethyl 2-(2-acetyloxy-3-methylphenyl)-2-ethoxyacetate
SMILESCCOC(C(=O)OC)c1cccc(C)c1OC(C)=O
InChIInChI=1S/C14H18O5/c1-5-18-13(14(16)17-4)11-8-6-7-9(2)12(11)19-10(3)15/h6-8,13H,5H2,1-4H3
InChIKeyJGPMHVUQZHNMCR-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.17
Rot. Bonds5

About methyl 2-(2-acetyloxy-3-methylphenyl)-2-ethoxyacetate

methyl 2-(2-acetyloxy-3-methylphenyl)-2-ethoxyacetate (PubChem CID 150674648) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl 2-(2-acetyloxy-3-methylphenyl)-2-ethoxyacetate.

Molecular Properties

Compound Namemethyl 2-(2-acetyloxy-3-methylphenyl)-2-ethoxyacetate
PubChem CID150674648
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namemethyl 2-(2-acetyloxy-3-methylphenyl)-2-ethoxyacetate
SMILESCCOC(C(=O)OC)c1cccc(C)c1OC(C)=O
InChIInChI=1S/C14H18O5/c1-5-18-13(14(16)17-4)11-8-6-7-9(2)12(11)19-10(3)15/h6-8,13H,5H2,1-4H3
InChIKeyJGPMHVUQZHNMCR-UHFFFAOYSA-N
XLogP2.17
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.17
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 (2S)-2-acetyloxy-2-(2-methylphenyl)acetate
CID 125477072
(2-methyl-6-sulfanylphenyl) acetate
CID 174649835
methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate
CID 20726922
ethyl 2-(2-methoxy-3-methylphenyl)-2-oxoacetate
CID 117317826
methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate
CID 65441985
dimethyl 2-(2-methylphenyl)propanedioate
CID 11276084
1-(2-ethoxy-3-methylphenyl)ethanone
CID 82074964
2-acetyloxy-3-(1-aminopropyl)benzoic acid
CID 68635427
(2-butan-2-yl-6-propan-2-ylphenyl) acetate
CID 172616842
(2,6-diethylphenyl) acetate
CID 23273842
ethyl 2,6-dimethylbenzoate
CID 520807
ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate
CID 125470264

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetyloxy-3-methylphenyl)-2-ethoxyacetate?
The IUPAC name of methyl 2-(2-acetyloxy-3-methylphenyl)-2-ethoxyacetate (CID 150674648) is methyl 2-(2-acetyloxy-3-methylphenyl)-2-ethoxyacetate.
What is the SMILES notation for methyl 2-(2-acetyloxy-3-methylphenyl)-2-ethoxyacetate?
The canonical SMILES for methyl 2-(2-acetyloxy-3-methylphenyl)-2-ethoxyacetate is CCOC(C(=O)OC)c1cccc(C)c1OC(C)=O.
What is the InChIKey of methyl 2-(2-acetyloxy-3-methylphenyl)-2-ethoxyacetate?
The InChIKey is JGPMHVUQZHNMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-5-18-13(14(16)17-4)11-8-6-7-9(2)12(11)19-10(3)15/h6-8,13H,5H2,1-4H3.
What are the key properties of methyl 2-(2-acetyloxy-3-methylphenyl)-2-ethoxyacetate?
methyl 2-(2-acetyloxy-3-methylphenyl)-2-ethoxyacetate has a molecular weight of 266.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-acetyloxy-3-methylphenyl)-2-ethoxyacetate is sourced from PubChem (CID 150674648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).