3-phenyl-3-(4-propoxyphenyl)propanoic acid

C18H20O3 — CID 16738220

IUPAC3-phenyl-3-(4-propoxyphenyl)propanoic acid
SMILESCCCOc1ccc(C(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-2-12-21-16-10-8-15(9-11-16)17(13-18(19)20)14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3,(H,19,20)
InChIKeyGDWLOAMHXRAEMO-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.08
Rot. Bonds7

About 3-phenyl-3-(4-propoxyphenyl)propanoic acid

3-phenyl-3-(4-propoxyphenyl)propanoic acid (PubChem CID 16738220) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-phenyl-3-(4-propoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-phenyl-3-(4-propoxyphenyl)propanoic acid
PubChem CID16738220
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name3-phenyl-3-(4-propoxyphenyl)propanoic acid
SMILESCCCOc1ccc(C(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-2-12-21-16-10-8-15(9-11-16)17(13-18(19)20)14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3,(H,19,20)
InChIKeyGDWLOAMHXRAEMO-UHFFFAOYSA-N
XLogP4.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(4-propoxyphenyl)propanoic acid?
The IUPAC name of 3-phenyl-3-(4-propoxyphenyl)propanoic acid (CID 16738220) is 3-phenyl-3-(4-propoxyphenyl)propanoic acid.
What is the SMILES notation for 3-phenyl-3-(4-propoxyphenyl)propanoic acid?
The canonical SMILES for 3-phenyl-3-(4-propoxyphenyl)propanoic acid is CCCOc1ccc(C(CC(=O)O)c2ccccc2)cc1.
What is the InChIKey of 3-phenyl-3-(4-propoxyphenyl)propanoic acid?
The InChIKey is GDWLOAMHXRAEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-12-21-16-10-8-15(9-11-16)17(13-18(19)20)14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3,(H,19,20).
What are the key properties of 3-phenyl-3-(4-propoxyphenyl)propanoic acid?
3-phenyl-3-(4-propoxyphenyl)propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(4-propoxyphenyl)propanoic acid is sourced from PubChem (CID 16738220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).