ethyl 2-(4-ethoxyphenyl)propanoate

C13H18O3 — CID 105479148

IUPACethyl 2-(4-ethoxyphenyl)propanoate
SMILESCCOC(=O)C(C)c1ccc(OCC)cc1
InChIInChI=1S/C13H18O3/c1-4-15-12-8-6-11(7-9-12)10(3)13(14)16-5-2/h6-10H,4-5H2,1-3H3
InChIKeyLMDBIMYDXRVUKE-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.75
Rot. Bonds5

About ethyl 2-(4-ethoxyphenyl)propanoate

ethyl 2-(4-ethoxyphenyl)propanoate (PubChem CID 105479148) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is ethyl 2-(4-ethoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-ethoxyphenyl)propanoate
PubChem CID105479148
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Nameethyl 2-(4-ethoxyphenyl)propanoate
SMILESCCOC(=O)C(C)c1ccc(OCC)cc1
InChIInChI=1S/C13H18O3/c1-4-15-12-8-6-11(7-9-12)10(3)13(14)16-5-2/h6-10H,4-5H2,1-3H3
InChIKeyLMDBIMYDXRVUKE-UHFFFAOYSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(4-ethoxyphenyl)propanoate 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

methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
ethyl 2-(4-methylsulfonyloxyphenyl)propanoate
CID 87441895
ethyl (2R)-2-(4-iodophenyl)propanoate
CID 129387500
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl (2S)-2-[4-(trimethyl-λ4-sulfanyl)phenyl]propanoate
CID 146342720
2-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 152610342
methyl 2-(4-pentoxyphenyl)propanoate
CID 69403046
ethyl 2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate
CID 12785117
ethyl 2-(3,4-dihydroxyphenyl)propanoate
CID 66702388
ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate
CID 53249782
3-(4-ethoxyphenyl)-4-methylpentanamide
CID 112508295
ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate
CID 124564561

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethoxyphenyl)propanoate?
The IUPAC name of ethyl 2-(4-ethoxyphenyl)propanoate (CID 105479148) is ethyl 2-(4-ethoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-(4-ethoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-(4-ethoxyphenyl)propanoate is CCOC(=O)C(C)c1ccc(OCC)cc1.
What is the InChIKey of ethyl 2-(4-ethoxyphenyl)propanoate?
The InChIKey is LMDBIMYDXRVUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-15-12-8-6-11(7-9-12)10(3)13(14)16-5-2/h6-10H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(4-ethoxyphenyl)propanoate?
ethyl 2-(4-ethoxyphenyl)propanoate has a molecular weight of 222.28 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethoxyphenyl)propanoate is sourced from PubChem (CID 105479148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).