3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid

C22H20O3 — CID 58239597

IUPAC3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(-c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C22H20O3/c23-22(24)13-12-17-8-4-9-19(14-17)20-10-5-11-21(15-20)25-16-18-6-2-1-3-7-18/h1-11,14-15H,12-13,16H2,(H,23,24)
InChIKeyUHOXVQIPTCXNTK-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.95
Rot. Bonds7

About 3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid

3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid (PubChem CID 58239597) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
PubChem CID58239597
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(-c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C22H20O3/c23-22(24)13-12-17-8-4-9-19(14-17)20-10-5-11-21(15-20)25-16-18-6-2-1-3-7-18/h1-11,14-15H,12-13,16H2,(H,23,24)
InChIKeyUHOXVQIPTCXNTK-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

7-[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]-4-oxoheptanoic acid
CID 118004576
3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
CID 51349860
3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid
CID 83952241
2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516199
3-[4-[[3-[3-(benzylamino)propyl]phenoxy]methyl]phenyl]propanoic acid
CID 143684288
3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid
CID 22686429
2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid
CID 67146724
3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 59522903
1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone
CID 23004910
ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate
CID 154815416
3-[3-[[3-(3-benzyl-8-fluoroquinolin-4-yl)phenyl]methoxy]phenyl]propanoic acid
CID 66913982
[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol
CID 122435033

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid?
The IUPAC name of 3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid (CID 58239597) is 3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid?
The canonical SMILES for 3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid is O=C(O)CCc1cccc(-c2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of 3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid?
The InChIKey is UHOXVQIPTCXNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c23-22(24)13-12-17-8-4-9-19(14-17)20-10-5-11-21(15-20)25-16-18-6-2-1-3-7-18/h1-11,14-15H,12-13,16H2,(H,23,24).
What are the key properties of 3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid?
3-[3-(3-phenylmethoxyphenyl)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-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid is sourced from PubChem (CID 58239597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).