ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate

C13H18O3 — CID 58566683

IUPACethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate
SMILESCCOC(=O)CCc1cc(C)c(O)cc1C
InChIInChI=1S/C13H18O3/c1-4-16-13(15)6-5-11-7-10(3)12(14)8-9(11)2/h7-8,14H,4-6H2,1-3H3
InChIKeyUGGQJGFWQWBFPZ-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.50
Rot. Bonds4

About ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate

ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate (PubChem CID 58566683) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate
PubChem CID58566683
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Nameethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate
SMILESCCOC(=O)CCc1cc(C)c(O)cc1C
InChIInChI=1S/C13H18O3/c1-4-16-13(15)6-5-11-7-10(3)12(14)8-9(11)2/h7-8,14H,4-6H2,1-3H3
InChIKeyUGGQJGFWQWBFPZ-UHFFFAOYSA-N
XLogP2.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-chloro-2,5-dimethylphenyl)propanoate
CID 91605979
ethyl 3-(5-amino-2-hydroxyphenyl)propanoate
CID 3847295
ethyl 3-(4-bromo-2-methylphenyl)propanoate
CID 124705554
ethyl 3-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 58753933
ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate
CID 82350381
ethyl 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
CID 134641174
dodecyl 3-(5-tert-butyl-4-hydroxy-2-methylphenyl)propanoate
CID 21446624
ethyl 4-oxo-5-(2,4,5-trimethylphenyl)pentanoate
CID 64990371
ethyl 3-[2-(2-hydroxyphenyl)phenyl]propanoate
CID 67626781
ethyl 3-(2,4,5-trimethoxyphenyl)propanoate
CID 66702332
ethyl 5-[3-(3-ethoxy-3-oxopropyl)-4-hydroxyphenyl]-5-oxopentanoate
CID 54397227
ethyl 3-[4-(2-aminoethoxy)-2-methylphenyl]propanoate
CID 164576670

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate?
The IUPAC name of ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate (CID 58566683) is ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate.
What is the SMILES notation for ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate?
The canonical SMILES for ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate is CCOC(=O)CCc1cc(C)c(O)cc1C.
What is the InChIKey of ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate?
The InChIKey is UGGQJGFWQWBFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-16-13(15)6-5-11-7-10(3)12(14)8-9(11)2/h7-8,14H,4-6H2,1-3H3.
What are the key properties of ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate?
ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate has a molecular weight of 222.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate is sourced from PubChem (CID 58566683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).