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

C15H22O4 — CID 112519730

IUPAC2-(3,4-dimethoxyphenyl)-2,4-dimethylpentanoic acid
SMILESCOc1ccc(C(C)(CC(C)C)C(=O)O)cc1OC
InChIInChI=1S/C15H22O4/c1-10(2)9-15(3,14(16)17)11-6-7-12(18-4)13(8-11)19-5/h6-8,10H,9H2,1-5H3,(H,16,17)
InChIKeyXHIFFCZRBRYMSY-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.09
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-2,4-dimethylpentanoic acid (PubChem CID 112519730) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2,4-dimethylpentanoic acid
PubChem CID112519730
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-(3,4-dimethoxyphenyl)-2,4-dimethylpentanoic acid
SMILESCOc1ccc(C(C)(CC(C)C)C(=O)O)cc1OC
InChIInChI=1S/C15H22O4/c1-10(2)9-15(3,14(16)17)11-6-7-12(18-4)13(8-11)19-5/h6-8,10H,9H2,1-5H3,(H,16,17)
InChIKeyXHIFFCZRBRYMSY-UHFFFAOYSA-N
XLogP3.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxy-3-fluorophenyl)-2,4-dimethylpentanoic acid
CID 112519778
3-(3,4-dimethoxyphenyl)-3-methyl-4-oxopentanoic acid
CID 59956314
2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride
CID 82133157
N-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide
CID 125463917
2-(diethylamino)-2-(3,4-dimethoxyphenyl)propanoic acid
CID 43803665
2-amino-2-(3,4-dimethoxyphenyl)butanoic acid
CID 3996118
3-[[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701535
N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110437705
4-(3,4-dimethoxyphenyl)-2,2-dimethylbutanoic acid
CID 65298131
2-(3-hydroxy-4-methoxyphenyl)-2,3-dimethylbutanoic acid
CID 83842745
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(methylamino)acetamide
CID 110460450
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2,4-dimethylpentanoic acid?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2,4-dimethylpentanoic acid (CID 112519730) is 2-(3,4-dimethoxyphenyl)-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2,4-dimethylpentanoic acid is COc1ccc(C(C)(CC(C)C)C(=O)O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2,4-dimethylpentanoic acid?
The InChIKey is XHIFFCZRBRYMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-10(2)9-15(3,14(16)17)11-6-7-12(18-4)13(8-11)19-5/h6-8,10H,9H2,1-5H3,(H,16,17).
What are the key properties of 2-(3,4-dimethoxyphenyl)-2,4-dimethylpentanoic acid?
2-(3,4-dimethoxyphenyl)-2,4-dimethylpentanoic acid has a molecular weight of 266.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2,4-dimethylpentanoic acid is sourced from PubChem (CID 112519730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).