3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid

C22H20O4 — CID 70842776

IUPAC3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid
SMILESCC(CC(=O)O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O4/c1-16(15-22(23)24)17-7-9-19(10-8-17)26-21-13-11-20(12-14-21)25-18-5-3-2-4-6-18/h2-14,16H,15H2,1H3,(H,23,24)
InChIKeyVIAARYILXVIEHX-UHFFFAOYSA-N
MW348.40 g/mol
LogP5.85
Rot. Bonds7

About 3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid

3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid (PubChem CID 70842776) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid.

Molecular Properties

Compound Name3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid
PubChem CID70842776
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid
SMILESCC(CC(=O)O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O4/c1-16(15-22(23)24)17-7-9-19(10-8-17)26-21-13-11-20(12-14-21)25-18-5-3-2-4-6-18/h2-14,16H,15H2,1H3,(H,23,24)
InChIKeyVIAARYILXVIEHX-UHFFFAOYSA-N
XLogP5.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(4-phenoxyphenoxy)phenyl]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

3-[4-(2-fluorophenoxy)phenyl]butanoic acid
CID 82306805
3-(4-phenoxyphenyl)pentanedioic acid
CID 170564926
3-(4-phenoxyphenyl)butanethioamide
CID 83938971
2-(4-phenoxyphenyl)propan-1-amine
CID 16736129
bis(2-aminoacetic acid);3-phenylbutanoic acid
CID 19068405
2-(4-phenoxyphenyl)propanoic acid
CID 527817
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
3-[4-(2-methylprop-2-enoxy)phenyl]butanoic acid
CID 83970856
(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid
CID 129384207
4-hydroxy-4-(4-phenoxyphenyl)butanoic acid
CID 43209399
2-amino-5-(4-phenoxyphenyl)hexan-3-ol
CID 83939023
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid?
The IUPAC name of 3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid (CID 70842776) is 3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid.
What is the SMILES notation for 3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid?
The canonical SMILES for 3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid is CC(CC(=O)O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid?
The InChIKey is VIAARYILXVIEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-16(15-22(23)24)17-7-9-19(10-8-17)26-21-13-11-20(12-14-21)25-18-5-3-2-4-6-18/h2-14,16H,15H2,1H3,(H,23,24).
What are the key properties of 3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid?
3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid has a molecular weight of 348.40 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid is sourced from PubChem (CID 70842776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).