ethyl 2-(3-methyl-4-propanoylphenyl)acetate

C14H18O3 — CID 134633131

IUPACethyl 2-(3-methyl-4-propanoylphenyl)acetate
SMILESCCOC(=O)Cc1ccc(C(=O)CC)c(C)c1
InChIInChI=1S/C14H18O3/c1-4-13(15)12-7-6-11(8-10(12)3)9-14(16)17-5-2/h6-8H,4-5,9H2,1-3H3
InChIKeyDDIYLIBWSZGGNK-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.69
Rot. Bonds5

About ethyl 2-(3-methyl-4-propanoylphenyl)acetate

ethyl 2-(3-methyl-4-propanoylphenyl)acetate (PubChem CID 134633131) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is ethyl 2-(3-methyl-4-propanoylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-4-propanoylphenyl)acetate
PubChem CID134633131
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nameethyl 2-(3-methyl-4-propanoylphenyl)acetate
SMILESCCOC(=O)Cc1ccc(C(=O)CC)c(C)c1
InChIInChI=1S/C14H18O3/c1-4-13(15)12-7-6-11(8-10(12)3)9-14(16)17-5-2/h6-8H,4-5,9H2,1-3H3
InChIKeyDDIYLIBWSZGGNK-UHFFFAOYSA-N
XLogP2.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-(3-chloropropanoyl)-3-methylphenyl]acetate
CID 134633166
ethyl 2-(3-cyano-4-propanoylphenyl)acetate
CID 134654095
ethyl 2-(3-methyl-4-sulfanylphenyl)acetate
CID 123806399
ethyl 2-(3-iodo-4-methylphenyl)acetate
CID 134638159
ethyl 2-(4-acetyl-3-chlorophenyl)acetate
CID 121231968
3-[4-(2-ethoxy-2-oxoethyl)-2-methylphenyl]propanoic acid
CID 134633152
ethyl 2-[3-bromo-4-(3-bromopropanoyl)phenyl]acetate
CID 134632852
ethyl 2-(2-methyl-6-propanoylphenyl)acetate
CID 134614867
ethyl 2-(4-butoxy-3-methylphenyl)acetate
CID 154174708
ethyl 2-(3-bromo-4-ethylphenyl)acetate
CID 82643388
methyl 4-(2-methoxy-2-oxoethyl)-2-methylbenzoate
CID 171792318
ethyl 2-bromo-5-(2-ethoxy-2-oxoethyl)benzoate
CID 102237207

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methyl-4-propanoylphenyl)acetate?
The IUPAC name of ethyl 2-(3-methyl-4-propanoylphenyl)acetate (CID 134633131) is ethyl 2-(3-methyl-4-propanoylphenyl)acetate.
What is the SMILES notation for ethyl 2-(3-methyl-4-propanoylphenyl)acetate?
The canonical SMILES for ethyl 2-(3-methyl-4-propanoylphenyl)acetate is CCOC(=O)Cc1ccc(C(=O)CC)c(C)c1.
What is the InChIKey of ethyl 2-(3-methyl-4-propanoylphenyl)acetate?
The InChIKey is DDIYLIBWSZGGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-13(15)12-7-6-11(8-10(12)3)9-14(16)17-5-2/h6-8H,4-5,9H2,1-3H3.
What are the key properties of ethyl 2-(3-methyl-4-propanoylphenyl)acetate?
ethyl 2-(3-methyl-4-propanoylphenyl)acetate has a molecular weight of 234.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-4-propanoylphenyl)acetate is sourced from PubChem (CID 134633131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).