2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic acid

C15H22O5 — CID 83042755

IUPAC2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic acid
SMILESCCCC(C(=O)O)C(C)(O)c1ccc(OC)cc1OC
InChIInChI=1S/C15H22O5/c1-5-6-12(14(16)17)15(2,18)11-8-7-10(19-3)9-13(11)20-4/h7-9,12,18H,5-6H2,1-4H3,(H,16,17)
InChIKeyWQTHRROJPDBAQB-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.41
Rot. Bonds7

About 2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic acid

2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic acid (PubChem CID 83042755) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic acid.

Molecular Properties

Compound Name2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic acid
PubChem CID83042755
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic acid
SMILESCCCC(C(=O)O)C(C)(O)c1ccc(OC)cc1OC
InChIInChI=1S/C15H22O5/c1-5-6-12(14(16)17)15(2,18)11-8-7-10(19-3)9-13(11)20-4/h7-9,12,18H,5-6H2,1-4H3,(H,16,17)
InChIKeyWQTHRROJPDBAQB-UHFFFAOYSA-N
XLogP2.41
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic 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

(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
CID 97048528
methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate
CID 62393818
2-(2,4-dimethoxyphenyl)-3-ethyl-2-methyloctanoic acid
CID 175254422
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
2-(2,4-dimethoxyphenyl)-2-hydroxypropanamide
CID 62215379
2-(2,4-dimethoxyphenyl)-2-hydroxy-2-phenylacetic acid
CID 139609897
ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62397793
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
3-(2,4-dimethoxyphenyl)-2-methylpentan-3-ol
CID 62801618
2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid
CID 43631181
3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
CID 62397828
2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid
CID 84752870

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic acid?
The IUPAC name of 2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic acid (CID 83042755) is 2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic acid.
What is the SMILES notation for 2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic acid?
The canonical SMILES for 2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic acid is CCCC(C(=O)O)C(C)(O)c1ccc(OC)cc1OC.
What is the InChIKey of 2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic acid?
The InChIKey is WQTHRROJPDBAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-5-6-12(14(16)17)15(2,18)11-8-7-10(19-3)9-13(11)20-4/h7-9,12,18H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic acid?
2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic acid is sourced from PubChem (CID 83042755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).