2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoic acid

C13H16O4 — CID 175395056

IUPAC2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoic acid
SMILESCOc1ccc(C(C)=COC(C)C(=O)O)cc1
InChIInChI=1S/C13H16O4/c1-9(8-17-10(2)13(14)15)11-4-6-12(16-3)7-5-11/h4-8,10H,1-3H3,(H,14,15)
InChIKeyCJJWOQAUAXFROW-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.55
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoic acid

2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoic acid (PubChem CID 175395056) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoic acid
PubChem CID175395056
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoic acid
SMILESCOc1ccc(C(C)=COC(C)C(=O)O)cc1
InChIInChI=1S/C13H16O4/c1-9(8-17-10(2)13(14)15)11-4-6-12(16-3)7-5-11/h4-8,10H,1-3H3,(H,14,15)
InChIKeyCJJWOQAUAXFROW-UHFFFAOYSA-N
XLogP2.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate
CID 167437972
4-(4-methoxyphenyl)pent-3-enoic acid
CID 57142531
methyl (E)-3-(4-methoxyphenyl)but-2-enoate
CID 11074539
(2E,4E)-5-(4-methoxyphenyl)hexa-2,4-dienoic acid
CID 14347285
1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid
CID 157331478
5-(4-methoxyphenyl)hexa-2,4-dienoic acid
CID 54069539
1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene
CID 134934706
(E)-5-(4-methoxyphenyl)hex-4-enoic acid
CID 82079765
4-methoxybenzoic acid;hydrobromide
CID 172731707
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
4-methoxybenzoic acid;silver
CID 140722019
anisole;2-sulfanylpropanoic acid
CID 88749796

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoic acid (CID 175395056) is 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoic acid is COc1ccc(C(C)=COC(C)C(=O)O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoic acid?
The InChIKey is CJJWOQAUAXFROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-9(8-17-10(2)13(14)15)11-4-6-12(16-3)7-5-11/h4-8,10H,1-3H3,(H,14,15).
What are the key properties of 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoic acid?
2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoic acid has a molecular weight of 236.27 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoic acid is sourced from PubChem (CID 175395056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).