3-[2-[3-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid

C28H24O3 — CID 21362851

IUPAC3-[2-[3-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C28H24O3/c29-28(30)18-17-22-11-4-5-14-25(22)23-12-8-13-24(19-23)26-15-6-7-16-27(26)31-20-21-9-2-1-3-10-21/h1-16,19H,17-18,20H2,(H,29,30)
InChIKeyQVBIPKPYYKRQAH-UHFFFAOYSA-N
MW408.50 g/mol
LogP6.62
Rot. Bonds8

About 3-[2-[3-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid

3-[2-[3-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid (PubChem CID 21362851) has the molecular formula C28H24O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-[2-[3-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[3-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid
PubChem CID21362851
Molecular FormulaC28H24O3
Molecular Weight408.50 g/mol
Exact Mass408.17
IUPAC Name3-[2-[3-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C28H24O3/c29-28(30)18-17-22-11-4-5-14-25(22)23-12-8-13-24(19-23)26-15-6-7-16-27(26)31-20-21-9-2-1-3-10-21/h1-16,19H,17-18,20H2,(H,29,30)
InChIKeyQVBIPKPYYKRQAH-UHFFFAOYSA-N
XLogP6.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid?
The IUPAC name of 3-[2-[3-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid (CID 21362851) is 3-[2-[3-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[3-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[3-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid is O=C(O)CCc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 3-[2-[3-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid?
The InChIKey is QVBIPKPYYKRQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O3/c29-28(30)18-17-22-11-4-5-14-25(22)23-12-8-13-24(19-23)26-15-6-7-16-27(26)31-20-21-9-2-1-3-10-21/h1-16,19H,17-18,20H2,(H,29,30).
What are the key properties of 3-[2-[3-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid?
3-[2-[3-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid has a molecular weight of 408.50 g/mol, XLogP of 6.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid is sourced from PubChem (CID 21362851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).