3-(4-phenylmethoxyphenyl)propanoic acid

C16H16O3 — CID 561372

IUPAC3-(4-phenylmethoxyphenyl)propanoic acid
SMILESO=C(O)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H16O3/c17-16(18)11-8-13-6-9-15(10-7-13)19-12-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,17,18)
InChIKeyQTSAUVQZNADEKS-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.28
Rot. Bonds6

About 3-(4-phenylmethoxyphenyl)propanoic acid

3-(4-phenylmethoxyphenyl)propanoic acid (PubChem CID 561372) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-(4-phenylmethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-phenylmethoxyphenyl)propanoic acid
PubChem CID561372
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-(4-phenylmethoxyphenyl)propanoic acid
SMILESO=C(O)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H16O3/c17-16(18)11-8-13-6-9-15(10-7-13)19-12-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,17,18)
InChIKeyQTSAUVQZNADEKS-UHFFFAOYSA-N
XLogP3.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylmethoxyphenyl)propanoic acid?
The IUPAC name of 3-(4-phenylmethoxyphenyl)propanoic acid (CID 561372) is 3-(4-phenylmethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-phenylmethoxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-phenylmethoxyphenyl)propanoic acid is O=C(O)CCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-(4-phenylmethoxyphenyl)propanoic acid?
The InChIKey is QTSAUVQZNADEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-16(18)11-8-13-6-9-15(10-7-13)19-12-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,17,18).
What are the key properties of 3-(4-phenylmethoxyphenyl)propanoic acid?
3-(4-phenylmethoxyphenyl)propanoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylmethoxyphenyl)propanoic acid is sourced from PubChem (CID 561372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).