2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid

C17H18O5 — CID 20992517

IUPAC2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid
SMILESCCOc1ccc(OCCOc2ccccc2C(=O)O)cc1
InChIInChI=1S/C17H18O5/c1-2-20-13-7-9-14(10-8-13)21-11-12-22-16-6-4-3-5-15(16)17(18)19/h3-10H,2,11-12H2,1H3,(H,18,19)
InChIKeyDZCRENLDSJPLPQ-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.24
Rot. Bonds8

About 2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid

2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid (PubChem CID 20992517) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid
PubChem CID20992517
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid
SMILESCCOc1ccc(OCCOc2ccccc2C(=O)O)cc1
InChIInChI=1S/C17H18O5/c1-2-20-13-7-9-14(10-8-13)21-11-12-22-16-6-4-3-5-15(16)17(18)19/h3-10H,2,11-12H2,1H3,(H,18,19)
InChIKeyDZCRENLDSJPLPQ-UHFFFAOYSA-N
XLogP3.24
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(4-ethoxyphenoxy)ethoxy]benzoic 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-(4-phenoxybutoxy)benzoic acid
CID 67413317
2-ethoxybenzoic acid;zinc
CID 172723273
1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone
CID 2284019
N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273
2-butoxybenzoic acid;carbonic acid
CID 137455653
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
2-(2-propanoyloxyethoxy)benzoic acid
CID 141005328
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzoic acid
CID 22681637
(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
CID 115800643
2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid
CID 20990666
2-pentoxybenzoic acid;hydrochloride
CID 70416265

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid (CID 20992517) is 2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid is CCOc1ccc(OCCOc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid?
The InChIKey is DZCRENLDSJPLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-2-20-13-7-9-14(10-8-13)21-11-12-22-16-6-4-3-5-15(16)17(18)19/h3-10H,2,11-12H2,1H3,(H,18,19).
What are the key properties of 2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid?
2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid has a molecular weight of 302.33 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid is sourced from PubChem (CID 20992517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).