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

C18H20O5 — CID 83951979

IUPAC3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
SMILESCCOc1ccc(CC(C(=O)O)c2ccc(O)cc2)cc1OC
InChIInChI=1S/C18H20O5/c1-3-23-16-9-4-12(11-17(16)22-2)10-15(18(20)21)13-5-7-14(19)8-6-13/h4-9,11,15,19H,3,10H2,1-2H3,(H,20,21)
InChIKeySCGPFYMMRQMIGD-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.21
Rot. Bonds7

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

3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid (PubChem CID 83951979) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
PubChem CID83951979
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
SMILESCCOc1ccc(CC(C(=O)O)c2ccc(O)cc2)cc1OC
InChIInChI=1S/C18H20O5/c1-3-23-16-9-4-12(11-17(16)22-2)10-15(18(20)21)13-5-7-14(19)8-6-13/h4-9,11,15,19H,3,10H2,1-2H3,(H,20,21)
InChIKeySCGPFYMMRQMIGD-UHFFFAOYSA-N
XLogP3.21
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951268
3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82140602
3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955509
2-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 131887523
3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid
CID 165353920
2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 83951966
2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
CID 83955211
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
3-[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]-2-(4-methoxyphenyl)propanoic acid
CID 20988635
3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid
CID 83954170
3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid
CID 22682030
2-chloro-3-(3,4-dimethoxyphenyl)propanoic acid
CID 83969809

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid (CID 83951979) is 3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid is CCOc1ccc(CC(C(=O)O)c2ccc(O)cc2)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid?
The InChIKey is SCGPFYMMRQMIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-3-23-16-9-4-12(11-17(16)22-2)10-15(18(20)21)13-5-7-14(19)8-6-13/h4-9,11,15,19H,3,10H2,1-2H3,(H,20,21).
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid?
3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid has a molecular weight of 316.35 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 83951979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).