3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid

C14H20O4 — CID 22943714

IUPAC3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid
SMILESCOc1c(C)c(C)c(OC)c(CCC(=O)O)c1C
InChIInChI=1S/C14H20O4/c1-8-9(2)14(18-5)11(6-7-12(15)16)10(3)13(8)17-4/h6-7H2,1-5H3,(H,15,16)
InChIKeyQTYDODUDQARIQX-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.65
Rot. Bonds5

About 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid

3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid (PubChem CID 22943714) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid
PubChem CID22943714
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid
SMILESCOc1c(C)c(C)c(OC)c(CCC(=O)O)c1C
InChIInChI=1S/C14H20O4/c1-8-9(2)14(18-5)11(6-7-12(15)16)10(3)13(8)17-4/h6-7H2,1-5H3,(H,15,16)
InChIKeyQTYDODUDQARIQX-UHFFFAOYSA-N
XLogP2.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)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

3-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)propanoic acid
CID 117393987
1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene
CID 15837165
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)propanoic acid
CID 84814002
4-(2,3,4,5-tetramethoxy-6-methylphenyl)butan-2-one
CID 88733446
[(Z)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpent-2-enyl] acetate
CID 86745749
3-(5-bromo-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid
CID 117488022
3-(5-fluoro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid
CID 84703264
3-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid
CID 117400395
4-(2-bromo-5-methoxy-3,4,6-trimethylphenyl)butan-2-one
CID 11572987
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butan-2-one
CID 116927740
(2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine
CID 139777100
methyl (2S)-4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-hydroxy-2-methylbutanoate
CID 14631362

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid?
The IUPAC name of 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid (CID 22943714) is 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid.
What is the SMILES notation for 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid?
The canonical SMILES for 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid is COc1c(C)c(C)c(OC)c(CCC(=O)O)c1C.
What is the InChIKey of 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid?
The InChIKey is QTYDODUDQARIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-8-9(2)14(18-5)11(6-7-12(15)16)10(3)13(8)17-4/h6-7H2,1-5H3,(H,15,16).
What are the key properties of 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid?
3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid is sourced from PubChem (CID 22943714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).