3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid

C20H24O5 — CID 83954170

IUPAC3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid
SMILESCCOc1ccc(C(Cc2ccc(O)c(OCC)c2)C(=O)O)cc1C
InChIInChI=1S/C20H24O5/c1-4-24-18-9-7-15(10-13(18)3)16(20(22)23)11-14-6-8-17(21)19(12-14)25-5-2/h6-10,12,16,21H,4-5,11H2,1-3H3,(H,22,23)
InChIKeyIPXJRAVGORCYKA-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.91
Rot. Bonds8

About 3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid

3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid (PubChem CID 83954170) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid
PubChem CID83954170
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid
SMILESCCOc1ccc(C(Cc2ccc(O)c(OCC)c2)C(=O)O)cc1C
InChIInChI=1S/C20H24O5/c1-4-24-18-9-7-15(10-13(18)3)16(20(22)23)11-14-6-8-17(21)19(12-14)25-5-2/h6-10,12,16,21H,4-5,11H2,1-3H3,(H,22,23)
InChIKeyIPXJRAVGORCYKA-UHFFFAOYSA-N
XLogP3.91
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid
CID 83955946
2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid
CID 83954162
3-(4-ethoxyphenyl)-2-(3-methyl-4-propoxyphenyl)propanoic acid
CID 83950412
2-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid
CID 112518760
3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951979
2-(3,4-dimethylphenyl)-3-(3-hydroxy-4-methoxyphenyl)propanoic acid
CID 82160556
3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951268
2-(4-ethoxy-3-methylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 83950993
3-(3-ethoxy-4-hydroxyphenyl)-2-naphthalen-1-ylpropanoic acid
CID 83954183
2-chloro-2-(4-ethoxy-3-methylphenyl)acetic acid
CID 82288310
2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
CID 83955211
3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82140602

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid?
The IUPAC name of 3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid (CID 83954170) is 3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid?
The canonical SMILES for 3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid is CCOc1ccc(C(Cc2ccc(O)c(OCC)c2)C(=O)O)cc1C.
What is the InChIKey of 3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid?
The InChIKey is IPXJRAVGORCYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-4-24-18-9-7-15(10-13(18)3)16(20(22)23)11-14-6-8-17(21)19(12-14)25-5-2/h6-10,12,16,21H,4-5,11H2,1-3H3,(H,22,23).
What are the key properties of 3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid?
3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid has a molecular weight of 344.41 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid is sourced from PubChem (CID 83954170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).