3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid

C18H20O4 — CID 20984694

IUPAC3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid
SMILESCCOc1c(CC(C(=O)O)c2ccccc2)cccc1OC
InChIInChI=1S/C18H20O4/c1-3-22-17-14(10-7-11-16(17)21-2)12-15(18(19)20)13-8-5-4-6-9-13/h4-11,15H,3,12H2,1-2H3,(H,19,20)
InChIKeySMZIFPZWADMPQX-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.50
Rot. Bonds7

About 3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid

3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid (PubChem CID 20984694) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid
PubChem CID20984694
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid
SMILESCCOc1c(CC(C(=O)O)c2ccccc2)cccc1OC
InChIInChI=1S/C18H20O4/c1-3-22-17-14(10-7-11-16(17)21-2)12-15(18(19)20)13-8-5-4-6-9-13/h4-11,15H,3,12H2,1-2H3,(H,19,20)
InChIKeySMZIFPZWADMPQX-UHFFFAOYSA-N
XLogP3.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxy-3-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951759
3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 82160468
2-(3,4-dimethoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid
CID 20985305
2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203
1-(2-ethoxy-3-methoxyphenyl)propan-2-one
CID 13306100
2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid
CID 112720099
2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid
CID 82026703
2-[(2-ethoxy-3-methoxyphenyl)methylamino]propanoic acid
CID 66525793
3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954988
3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid
CID 112720015
2-(2-ethoxy-3-methoxyphenyl)acetate
CID 7139419
2-amino-3-(2,3-diethoxyphenyl)propanoic acid
CID 170879597

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid?
The IUPAC name of 3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid (CID 20984694) is 3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid?
The canonical SMILES for 3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid is CCOc1c(CC(C(=O)O)c2ccccc2)cccc1OC.
What is the InChIKey of 3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid?
The InChIKey is SMZIFPZWADMPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-22-17-14(10-7-11-16(17)21-2)12-15(18(19)20)13-8-5-4-6-9-13/h4-11,15H,3,12H2,1-2H3,(H,19,20).
What are the key properties of 3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid?
3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid has a molecular weight of 300.35 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid is sourced from PubChem (CID 20984694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).