3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid

C14H20O4 — CID 19348600

IUPAC3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid
SMILESCOc1ccc(C(CC(=O)O)C(C)C)c(OC)c1
InChIInChI=1S/C14H20O4/c1-9(2)12(8-14(15)16)11-6-5-10(17-3)7-13(11)18-4/h5-7,9,12H,8H2,1-4H3,(H,15,16)
InChIKeyUWMXGFOJBVABQI-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.92
Rot. Bonds6

About 3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid

3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid (PubChem CID 19348600) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid
PubChem CID19348600
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid
SMILESCOc1ccc(C(CC(=O)O)C(C)C)c(OC)c1
InChIInChI=1S/C14H20O4/c1-9(2)12(8-14(15)16)11-6-5-10(17-3)7-13(11)18-4/h5-7,9,12H,8H2,1-4H3,(H,15,16)
InChIKeyUWMXGFOJBVABQI-UHFFFAOYSA-N
XLogP2.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,4-dimethoxyphenyl)-4-methylpentanoic 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-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide
CID 112509523
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
2-[4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-4-methylpentanoyl]amino]phenyl]acetic acid
CID 139784302
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid
CID 82306007
3-(2,4-dimethoxyphenyl)sulfanylbutanoic acid
CID 117033490
3-(2,4-dimethoxyphenyl)-3-(2-ethylbutanoylamino)propanoic acid
CID 120606640
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
2-[4-[1-(2,4-dimethoxyphenyl)ethyl]phenoxy]acetic acid
CID 20678011
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117321879

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid (CID 19348600) is 3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid is COc1ccc(C(CC(=O)O)C(C)C)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid?
The InChIKey is UWMXGFOJBVABQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-9(2)12(8-14(15)16)11-6-5-10(17-3)7-13(11)18-4/h5-7,9,12H,8H2,1-4H3,(H,15,16).
What are the key properties of 3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid?
3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid is sourced from PubChem (CID 19348600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).