2-ethoxy-4-(4-propylphenoxy)butanoic acid

C15H22O4 — CID 63075186

IUPAC2-ethoxy-4-(4-propylphenoxy)butanoic acid
SMILESCCCc1ccc(OCCC(OCC)C(=O)O)cc1
InChIInChI=1S/C15H22O4/c1-3-5-12-6-8-13(9-7-12)19-11-10-14(15(16)17)18-4-2/h6-9,14H,3-5,10-11H2,1-2H3,(H,16,17)
InChIKeyPQNSHMSTESHBEV-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.90
Rot. Bonds9

About 2-ethoxy-4-(4-propylphenoxy)butanoic acid

2-ethoxy-4-(4-propylphenoxy)butanoic acid (PubChem CID 63075186) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-ethoxy-4-(4-propylphenoxy)butanoic acid.

Molecular Properties

Compound Name2-ethoxy-4-(4-propylphenoxy)butanoic acid
PubChem CID63075186
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-ethoxy-4-(4-propylphenoxy)butanoic acid
SMILESCCCc1ccc(OCCC(OCC)C(=O)O)cc1
InChIInChI=1S/C15H22O4/c1-3-5-12-6-8-13(9-7-12)19-11-10-14(15(16)17)18-4-2/h6-9,14H,3-5,10-11H2,1-2H3,(H,16,17)
InChIKeyPQNSHMSTESHBEV-UHFFFAOYSA-N
XLogP2.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-4-(4-propylphenoxy)butanoic acid 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

2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449
2-ethoxy-3-(4-propoxyphenoxy)propanoic acid
CID 63074316
2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
CID 63075394
4-(4-chloro-3-ethylphenoxy)-2-ethoxybutanoic acid
CID 63074662
[4-[3-[4-[(2S)-2-carboxy-2-ethoxyethyl]phenoxy]propyl]phenyl]azanium chloride
CID 69426610
4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid
CID 55180899
3-[4-[2-(4-benzylphenoxy)ethoxy]phenyl]-2-ethoxypropanoic acid
CID 141125255
2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid
CID 63073122
2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid
CID 22618800
ethyl (2S)-2-ethoxy-3-[4-[2-(4-hydroxyphenyl)ethoxy]phenyl]propanoate
CID 71012940
3-[4-(2,2-diethoxyethoxy)phenyl]-2-ethoxypropanoic acid
CID 70033606
(2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid
CID 67367096

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(4-propylphenoxy)butanoic acid?
The IUPAC name of 2-ethoxy-4-(4-propylphenoxy)butanoic acid (CID 63075186) is 2-ethoxy-4-(4-propylphenoxy)butanoic acid.
What is the SMILES notation for 2-ethoxy-4-(4-propylphenoxy)butanoic acid?
The canonical SMILES for 2-ethoxy-4-(4-propylphenoxy)butanoic acid is CCCc1ccc(OCCC(OCC)C(=O)O)cc1.
What is the InChIKey of 2-ethoxy-4-(4-propylphenoxy)butanoic acid?
The InChIKey is PQNSHMSTESHBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-5-12-6-8-13(9-7-12)19-11-10-14(15(16)17)18-4-2/h6-9,14H,3-5,10-11H2,1-2H3,(H,16,17).
What are the key properties of 2-ethoxy-4-(4-propylphenoxy)butanoic acid?
2-ethoxy-4-(4-propylphenoxy)butanoic acid has a molecular weight of 266.34 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(4-propylphenoxy)butanoic acid is sourced from PubChem (CID 63075186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).