2-(3-prop-2-enoxyphenyl)propanoic acid

C12H14O3 — CID 156638364

IUPAC2-(3-prop-2-enoxyphenyl)propanoic acid
SMILESC=CCOc1cccc(C(C)C(=O)O)c1
InChIInChI=1S/C12H14O3/c1-3-7-15-11-6-4-5-10(8-11)9(2)12(13)14/h3-6,8-9H,1,7H2,2H3,(H,13,14)
InChIKeyVDMNFOZBGGQHIX-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.44
Rot. Bonds5

About 2-(3-prop-2-enoxyphenyl)propanoic acid

2-(3-prop-2-enoxyphenyl)propanoic acid (PubChem CID 156638364) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(3-prop-2-enoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-prop-2-enoxyphenyl)propanoic acid
PubChem CID156638364
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(3-prop-2-enoxyphenyl)propanoic acid
SMILESC=CCOc1cccc(C(C)C(=O)O)c1
InChIInChI=1S/C12H14O3/c1-3-7-15-11-6-4-5-10(8-11)9(2)12(13)14/h3-6,8-9H,1,7H2,2H3,(H,13,14)
InChIKeyVDMNFOZBGGQHIX-UHFFFAOYSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-prop-2-enoxyphenyl)propanoic acid?
The IUPAC name of 2-(3-prop-2-enoxyphenyl)propanoic acid (CID 156638364) is 2-(3-prop-2-enoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(3-prop-2-enoxyphenyl)propanoic acid?
The canonical SMILES for 2-(3-prop-2-enoxyphenyl)propanoic acid is C=CCOc1cccc(C(C)C(=O)O)c1.
What is the InChIKey of 2-(3-prop-2-enoxyphenyl)propanoic acid?
The InChIKey is VDMNFOZBGGQHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-7-15-11-6-4-5-10(8-11)9(2)12(13)14/h3-6,8-9H,1,7H2,2H3,(H,13,14).
What are the key properties of 2-(3-prop-2-enoxyphenyl)propanoic acid?
2-(3-prop-2-enoxyphenyl)propanoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-prop-2-enoxyphenyl)propanoic acid is sourced from PubChem (CID 156638364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).