2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid

C19H22O4 — CID 83954162

IUPAC2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid
SMILESCCOc1cc(CC(C(=O)O)c2cc(C)ccc2C)ccc1O
InChIInChI=1S/C19H22O4/c1-4-23-18-11-14(7-8-17(18)20)10-16(19(21)22)15-9-12(2)5-6-13(15)3/h5-9,11,16,20H,4,10H2,1-3H3,(H,21,22)
InChIKeySGCCOMSOBJZFNO-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.82
Rot. Bonds6

About 2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid

2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid (PubChem CID 83954162) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid
PubChem CID83954162
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid
SMILESCCOc1cc(CC(C(=O)O)c2cc(C)ccc2C)ccc1O
InChIInChI=1S/C19H22O4/c1-4-23-18-11-14(7-8-17(18)20)10-16(19(21)22)15-9-12(2)5-6-13(15)3/h5-9,11,16,20H,4,10H2,1-3H3,(H,21,22)
InChIKeySGCCOMSOBJZFNO-UHFFFAOYSA-N
XLogP3.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 83951966
3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid
CID 83954170
3-(3-ethoxy-4-hydroxyphenyl)-2-naphthalen-1-ylpropanoic acid
CID 83954183
2-(2,5-dimethylphenyl)-3-phenylpropanoic acid
CID 82139245
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 83952976
3-(4-chlorophenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 82139348
3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid
CID 165353920
2-(2,5-dimethylphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 83953444
2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 83952174
3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83955199
ethyl 2-(2,5-dimethylphenyl)-3-hydroxypropanoate
CID 45097761
2-(2,5-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 83954964

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid (CID 83954162) is 2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid is CCOc1cc(CC(C(=O)O)c2cc(C)ccc2C)ccc1O.
What is the InChIKey of 2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid?
The InChIKey is SGCCOMSOBJZFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-4-23-18-11-14(7-8-17(18)20)10-16(19(21)22)15-9-12(2)5-6-13(15)3/h5-9,11,16,20H,4,10H2,1-3H3,(H,21,22).
What are the key properties of 2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid?
2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid has a molecular weight of 314.38 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 83954162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).