3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid

C23H22O4 — CID 22686429

IUPAC3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(OCCOc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C23H22O4/c24-23(25)14-13-18-7-6-10-20(17-18)26-15-16-27-22-12-5-4-11-21(22)19-8-2-1-3-9-19/h1-12,17H,13-16H2,(H,24,25)
InChIKeyJQHPMAHMCHMEAV-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.83
Rot. Bonds9

About 3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid

3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid (PubChem CID 22686429) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid
PubChem CID22686429
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(OCCOc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C23H22O4/c24-23(25)14-13-18-7-6-10-20(17-18)26-15-16-27-22-12-5-4-11-21(22)19-8-2-1-3-9-19/h1-12,17H,13-16H2,(H,24,25)
InChIKeyJQHPMAHMCHMEAV-UHFFFAOYSA-N
XLogP4.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid
CID 142194169
3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20987714
3-[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20993456
3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
CID 58239597
3-[3-[2-(4-tert-butylphenoxy)ethoxy]phenyl]propanoic acid
CID 20991725
6-[3-(2-phenylethoxy)phenyl]hexanoic acid
CID 139921744
N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20990115
3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 17134455
3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid
CID 83952241
4-oxo-4-[3-[3-(4-phenoxybutoxy)phenyl]propoxy]butanoic acid
CID 57013169
1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one
CID 161218942
methyl 3-(3-hexoxyphenyl)propanoate;3-phenylpropanoic acid
CID 175110743

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid?
The IUPAC name of 3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid (CID 22686429) is 3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid is O=C(O)CCc1cccc(OCCOc2ccccc2-c2ccccc2)c1.
What is the InChIKey of 3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid?
The InChIKey is JQHPMAHMCHMEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c24-23(25)14-13-18-7-6-10-20(17-18)26-15-16-27-22-12-5-4-11-21(22)19-8-2-1-3-9-19/h1-12,17H,13-16H2,(H,24,25).
What are the key properties of 3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid?
3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid has a molecular weight of 362.43 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 22686429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).