3-(4-propoxyphenyl)propanoic acid

C12H16O3 — CID 2255935

IUPAC3-(4-propoxyphenyl)propanoic acid
SMILESCCCOc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C12H16O3/c1-2-9-15-11-6-3-10(4-7-11)5-8-12(13)14/h3-4,6-7H,2,5,8-9H2,1H3,(H,13,14)
InChIKeySOFMLHAGBATXNZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.49
Rot. Bonds6

About 3-(4-propoxyphenyl)propanoic acid

3-(4-propoxyphenyl)propanoic acid (PubChem CID 2255935) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(4-propoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-propoxyphenyl)propanoic acid
PubChem CID2255935
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-(4-propoxyphenyl)propanoic acid
SMILESCCCOc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C12H16O3/c1-2-9-15-11-6-3-10(4-7-11)5-8-12(13)14/h3-4,6-7H,2,5,8-9H2,1H3,(H,13,14)
InChIKeySOFMLHAGBATXNZ-UHFFFAOYSA-N
XLogP2.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propoxyphenyl)propanoic acid?
The IUPAC name of 3-(4-propoxyphenyl)propanoic acid (CID 2255935) is 3-(4-propoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-propoxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-propoxyphenyl)propanoic acid is CCCOc1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-(4-propoxyphenyl)propanoic acid?
The InChIKey is SOFMLHAGBATXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-2-9-15-11-6-3-10(4-7-11)5-8-12(13)14/h3-4,6-7H,2,5,8-9H2,1H3,(H,13,14).
What are the key properties of 3-(4-propoxyphenyl)propanoic acid?
3-(4-propoxyphenyl)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propoxyphenyl)propanoic acid is sourced from PubChem (CID 2255935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).