3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid

C22H20O3 — CID 51349860

IUPAC3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O3/c23-22(24)15-10-17-8-13-21(14-9-17)25-16-18-6-11-20(12-7-18)19-4-2-1-3-5-19/h1-9,11-14H,10,15-16H2,(H,23,24)
InChIKeyYDRSPUMUIIHFDU-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.95
Rot. Bonds7

About 3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid

3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid (PubChem CID 51349860) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
PubChem CID51349860
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O3/c23-22(24)15-10-17-8-13-21(14-9-17)25-16-18-6-11-20(12-7-18)19-4-2-1-3-5-19/h1-9,11-14H,10,15-16H2,(H,23,24)
InChIKeyYDRSPUMUIIHFDU-UHFFFAOYSA-N
XLogP4.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
CID 58239597
1-(4-phenylmethoxyphenyl)pentan-3-one
CID 18798710
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 82051730
4-[(4-phenylphenoxy)methyl]benzohydrazide
CID 2368822
3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 822003
5-(4-phenylmethoxyphenoxy)pentanoic acid
CID 11695119
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid (CID 51349860) is 3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid is O=C(O)CCc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid?
The InChIKey is YDRSPUMUIIHFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c23-22(24)15-10-17-8-13-21(14-9-17)25-16-18-6-11-20(12-7-18)19-4-2-1-3-5-19/h1-9,11-14H,10,15-16H2,(H,23,24).
What are the key properties of 3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid?
3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid has a molecular weight of 332.40 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 51349860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).