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

C18H20O4 — CID 83956080

IUPAC2-(4-ethoxy-2-methylphenyl)-3-(3-hydroxyphenyl)propanoic acid
SMILESCCOc1ccc(C(Cc2cccc(O)c2)C(=O)O)c(C)c1
InChIInChI=1S/C18H20O4/c1-3-22-15-7-8-16(12(2)9-15)17(18(20)21)11-13-5-4-6-14(19)10-13/h4-10,17,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyCIQKVOUAFNXZHW-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.51
Rot. Bonds6

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

2-(4-ethoxy-2-methylphenyl)-3-(3-hydroxyphenyl)propanoic acid (PubChem CID 83956080) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(4-ethoxy-2-methylphenyl)-3-(3-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-ethoxy-2-methylphenyl)-3-(3-hydroxyphenyl)propanoic acid
PubChem CID83956080
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-(4-ethoxy-2-methylphenyl)-3-(3-hydroxyphenyl)propanoic acid
SMILESCCOc1ccc(C(Cc2cccc(O)c2)C(=O)O)c(C)c1
InChIInChI=1S/C18H20O4/c1-3-22-15-7-8-16(12(2)9-15)17(18(20)21)11-13-5-4-6-14(19)10-13/h4-10,17,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyCIQKVOUAFNXZHW-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83956081
2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 83955405
2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid
CID 83955882
2-(2-methyl-4-propoxyphenyl)-3-(3-nitrophenyl)propanoic acid
CID 112721288
2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 83950996
3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83950554
3-(2,4-diethoxyphenyl)-2-(2,4-dimethylphenyl)propanoic acid
CID 83952987
3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83952270
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
3-(4-butoxyphenyl)-2-(2,4-dimethylphenyl)propanoic acid
CID 83951936
2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951475
2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid
CID 83954789

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-methylphenyl)-3-(3-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-(4-ethoxy-2-methylphenyl)-3-(3-hydroxyphenyl)propanoic acid (CID 83956080) is 2-(4-ethoxy-2-methylphenyl)-3-(3-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-(4-ethoxy-2-methylphenyl)-3-(3-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-(4-ethoxy-2-methylphenyl)-3-(3-hydroxyphenyl)propanoic acid is CCOc1ccc(C(Cc2cccc(O)c2)C(=O)O)c(C)c1.
What is the InChIKey of 2-(4-ethoxy-2-methylphenyl)-3-(3-hydroxyphenyl)propanoic acid?
The InChIKey is CIQKVOUAFNXZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-22-15-7-8-16(12(2)9-15)17(18(20)21)11-13-5-4-6-14(19)10-13/h4-10,17,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-ethoxy-2-methylphenyl)-3-(3-hydroxyphenyl)propanoic acid?
2-(4-ethoxy-2-methylphenyl)-3-(3-hydroxyphenyl)propanoic acid has a molecular weight of 300.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-methylphenyl)-3-(3-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 83956080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).