2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid

C18H20O4 — CID 83955211

IUPAC2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
SMILESCCc1ccc(C(Cc2ccc(O)c(OC)c2)C(=O)O)cc1
InChIInChI=1S/C18H20O4/c1-3-12-4-7-14(8-5-12)15(18(20)21)10-13-6-9-16(19)17(11-13)22-2/h4-9,11,15,19H,3,10H2,1-2H3,(H,20,21)
InChIKeyWWKZMHBFBMNAOE-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.37
Rot. Bonds6

About 2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid

2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid (PubChem CID 83955211) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
PubChem CID83955211
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
SMILESCCc1ccc(C(Cc2ccc(O)c(OC)c2)C(=O)O)cc1
InChIInChI=1S/C18H20O4/c1-3-12-4-7-14(8-5-12)15(18(20)21)10-13-6-9-16(19)17(11-13)22-2/h4-9,11,15,19H,3,10H2,1-2H3,(H,20,21)
InChIKeyWWKZMHBFBMNAOE-UHFFFAOYSA-N
XLogP3.37
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951268
3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83952274
3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83955199
2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)propanoic acid
CID 112720344
3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951979
2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoic acid
CID 21120243
2-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 131887523
3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83953187
3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82140602
3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid
CID 18443662
2-(4-aminophenyl)-3-(4-methoxy-3-propoxyphenyl)propanoic acid
CID 83953929
2-(3,4-dimethylphenyl)-3-(3-hydroxy-4-methoxyphenyl)propanoic acid
CID 82160556

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid (CID 83955211) is 2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid is CCc1ccc(C(Cc2ccc(O)c(OC)c2)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid?
The InChIKey is WWKZMHBFBMNAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-12-4-7-14(8-5-12)15(18(20)21)10-13-6-9-16(19)17(11-13)22-2/h4-9,11,15,19H,3,10H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid?
2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid has a molecular weight of 300.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 83955211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).