2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid

C20H24O4 — CID 83951475

IUPAC2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid
SMILESCCCOc1cccc(CC(C(=O)O)c2cccc(OCC)c2)c1
InChIInChI=1S/C20H24O4/c1-3-11-24-17-9-5-7-15(12-17)13-19(20(21)22)16-8-6-10-18(14-16)23-4-2/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H,21,22)
InChIKeyKACSFSSZJXJZTB-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.28
Rot. Bonds9

About 2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid

2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid (PubChem CID 83951475) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid
PubChem CID83951475
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid
SMILESCCCOc1cccc(CC(C(=O)O)c2cccc(OCC)c2)c1
InChIInChI=1S/C20H24O4/c1-3-11-24-17-9-5-7-15(12-17)13-19(20(21)22)16-8-6-10-18(14-16)23-4-2/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H,21,22)
InChIKeyKACSFSSZJXJZTB-UHFFFAOYSA-N
XLogP4.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951471
2-(4-aminophenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951463
2-(3-propoxyphenyl)butanoic acid
CID 54432962
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
CID 22687022
2-(3-ethoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 83953456
3-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanoic acid
CID 22680332
3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
CID 22687005
3-(3-ethoxyphenyl)-2-methylpropanoic acid;zinc
CID 175118835
2-(3-ethoxyphenyl)-2-propoxyacetic acid
CID 83224813
2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 82095275
(2S,3S)-2-methyl-3-(3-propoxyphenyl)pentanoic acid
CID 125467992

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid?
The IUPAC name of 2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid (CID 83951475) is 2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid?
The canonical SMILES for 2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid is CCCOc1cccc(CC(C(=O)O)c2cccc(OCC)c2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid?
The InChIKey is KACSFSSZJXJZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-3-11-24-17-9-5-7-15(12-17)13-19(20(21)22)16-8-6-10-18(14-16)23-4-2/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H,21,22).
What are the key properties of 2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid?
2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid has a molecular weight of 328.41 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid is sourced from PubChem (CID 83951475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).