4-[2-[2-(2-ethylphenyl)phenoxy]ethyl]benzoic acid

C23H22O3 — CID 67576442

IUPAC4-[2-[2-(2-ethylphenyl)phenoxy]ethyl]benzoic acid
SMILESCCc1ccccc1-c1ccccc1OCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C23H22O3/c1-2-18-7-3-4-8-20(18)21-9-5-6-10-22(21)26-16-15-17-11-13-19(14-12-17)23(24)25/h3-14H,2,15-16H2,1H3,(H,24,25)
InChIKeySKSJNVUVGZKFHF-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.24
Rot. Bonds7

About 4-[2-[2-(2-ethylphenyl)phenoxy]ethyl]benzoic acid

4-[2-[2-(2-ethylphenyl)phenoxy]ethyl]benzoic acid (PubChem CID 67576442) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[2-[2-(2-ethylphenyl)phenoxy]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-(2-ethylphenyl)phenoxy]ethyl]benzoic acid
PubChem CID67576442
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name4-[2-[2-(2-ethylphenyl)phenoxy]ethyl]benzoic acid
SMILESCCc1ccccc1-c1ccccc1OCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C23H22O3/c1-2-18-7-3-4-8-20(18)21-9-5-6-10-22(21)26-16-15-17-11-13-19(14-12-17)23(24)25/h3-14H,2,15-16H2,1H3,(H,24,25)
InChIKeySKSJNVUVGZKFHF-UHFFFAOYSA-N
XLogP5.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-[2-(2-ethylphenyl)phenoxy]ethyl]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

3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578
4-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid
CID 52934164
benzoic acid;1-ethyl-2-phenylbenzene
CID 66846233
4-[2-(2-phenoxyphenyl)ethyl]benzoic acid
CID 22400838
3-ethyl-4-(3-ethyl-5-phenylpentoxy)benzoic acid
CID 123688652
2-(2-heptoxyphenyl)benzoic acid
CID 70433575
4-[2-(2-methoxyethoxy)phenyl]-3-methylbenzoic acid
CID 104660748
4-(2-phenylethoxymethyl)benzoic acid
CID 28994595
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzoic acid
CID 20986005
4-[2-(4-pentylphenyl)phenyl]benzoic acid
CID 139608159
ethane;4-propylbenzoic acid
CID 91047964
4-[3-[(4-carboxyphenyl)methyl]-5-(2-hexoxyphenyl)pent-4-enyl]benzoic acid
CID 68660820

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-ethylphenyl)phenoxy]ethyl]benzoic acid?
The IUPAC name of 4-[2-[2-(2-ethylphenyl)phenoxy]ethyl]benzoic acid (CID 67576442) is 4-[2-[2-(2-ethylphenyl)phenoxy]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[2-(2-ethylphenyl)phenoxy]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[2-(2-ethylphenyl)phenoxy]ethyl]benzoic acid is CCc1ccccc1-c1ccccc1OCCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[2-(2-ethylphenyl)phenoxy]ethyl]benzoic acid?
The InChIKey is SKSJNVUVGZKFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3/c1-2-18-7-3-4-8-20(18)21-9-5-6-10-22(21)26-16-15-17-11-13-19(14-12-17)23(24)25/h3-14H,2,15-16H2,1H3,(H,24,25).
What are the key properties of 4-[2-[2-(2-ethylphenyl)phenoxy]ethyl]benzoic acid?
4-[2-[2-(2-ethylphenyl)phenoxy]ethyl]benzoic acid has a molecular weight of 346.43 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-ethylphenyl)phenoxy]ethyl]benzoic acid is sourced from PubChem (CID 67576442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).