2-(4-methoxyphenyl)-3-[4-(2-prop-2-enylphenoxy)phenyl]propanoic acid

C25H24O4 — CID 22686452

IUPAC2-(4-methoxyphenyl)-3-[4-(2-prop-2-enylphenoxy)phenyl]propanoic acid
SMILESC=CCc1ccccc1Oc1ccc(CC(C(=O)O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H24O4/c1-3-6-20-7-4-5-8-24(20)29-22-13-9-18(10-14-22)17-23(25(26)27)19-11-15-21(28-2)16-12-19/h3-5,7-16,23H,1,6,17H2,2H3,(H,26,27)
InChIKeyXXFOJIHPHNLEGB-UHFFFAOYSA-N
MW388.46 g/mol
LogP5.63
Rot. Bonds9

About 2-(4-methoxyphenyl)-3-[4-(2-prop-2-enylphenoxy)phenyl]propanoic acid

2-(4-methoxyphenyl)-3-[4-(2-prop-2-enylphenoxy)phenyl]propanoic acid (PubChem CID 22686452) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-[4-(2-prop-2-enylphenoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-[4-(2-prop-2-enylphenoxy)phenyl]propanoic acid
PubChem CID22686452
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name2-(4-methoxyphenyl)-3-[4-(2-prop-2-enylphenoxy)phenyl]propanoic acid
SMILESC=CCc1ccccc1Oc1ccc(CC(C(=O)O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H24O4/c1-3-6-20-7-4-5-8-24(20)29-22-13-9-18(10-14-22)17-23(25(26)27)19-11-15-21(28-2)16-12-19/h3-5,7-16,23H,1,6,17H2,2H3,(H,26,27)
InChIKeyXXFOJIHPHNLEGB-UHFFFAOYSA-N
XLogP5.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid
CID 20986100
3-[4-(2-chlorophenoxy)phenyl]-2-phenylpropanoic acid
CID 22684959
phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone
CID 68914261
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 95560671
molecular nitrogen;1-phenoxy-2-prop-2-enylbenzene
CID 70452460
2-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanoic acid
CID 82140726
2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid
CID 82026703
3-[4-(4-bromophenoxy)phenyl]-2-phenylpropanoic acid
CID 20984736
2-[4-(2-prop-2-enylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22681836
3-(2-butoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83954499
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-[4-(2-prop-2-enylphenoxy)phenyl]propanoic acid?
The IUPAC name of 2-(4-methoxyphenyl)-3-[4-(2-prop-2-enylphenoxy)phenyl]propanoic acid (CID 22686452) is 2-(4-methoxyphenyl)-3-[4-(2-prop-2-enylphenoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-[4-(2-prop-2-enylphenoxy)phenyl]propanoic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-3-[4-(2-prop-2-enylphenoxy)phenyl]propanoic acid is C=CCc1ccccc1Oc1ccc(CC(C(=O)O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-[4-(2-prop-2-enylphenoxy)phenyl]propanoic acid?
The InChIKey is XXFOJIHPHNLEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c1-3-6-20-7-4-5-8-24(20)29-22-13-9-18(10-14-22)17-23(25(26)27)19-11-15-21(28-2)16-12-19/h3-5,7-16,23H,1,6,17H2,2H3,(H,26,27).
What are the key properties of 2-(4-methoxyphenyl)-3-[4-(2-prop-2-enylphenoxy)phenyl]propanoic acid?
2-(4-methoxyphenyl)-3-[4-(2-prop-2-enylphenoxy)phenyl]propanoic acid has a molecular weight of 388.46 g/mol, XLogP of 5.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-[4-(2-prop-2-enylphenoxy)phenyl]propanoic acid is sourced from PubChem (CID 22686452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).