2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid

C13H18O3 — CID 82286933

IUPAC2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
SMILESCOc1c(C)cc(C)cc1C(C)(C)C(=O)O
InChIInChI=1S/C13H18O3/c1-8-6-9(2)11(16-5)10(7-8)13(3,4)12(14)15/h6-7H,1-5H3,(H,14,15)
InChIKeyMBZPIKHXFXRJIZ-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.67
Rot. Bonds3

About 2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid

2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid (PubChem CID 82286933) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
PubChem CID82286933
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
SMILESCOc1c(C)cc(C)cc1C(C)(C)C(=O)O
InChIInChI=1S/C13H18O3/c1-8-6-9(2)11(16-5)10(7-8)13(3,4)12(14)15/h6-7H,1-5H3,(H,14,15)
InChIKeyMBZPIKHXFXRJIZ-UHFFFAOYSA-N
XLogP2.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid
CID 82293509
2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid
CID 82291650
ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate
CID 5239443
2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid
CID 105423410
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116918725
2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 82232441
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one
CID 82290788
(2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid
CID 115170741
[[2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]methanethiol
CID 115228572
2-(2-methoxy-3,5-dimethylphenoxy)acetic acid
CID 84677573

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid (CID 82286933) is 2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid is COc1c(C)cc(C)cc1C(C)(C)C(=O)O.
What is the InChIKey of 2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid?
The InChIKey is MBZPIKHXFXRJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-8-6-9(2)11(16-5)10(7-8)13(3,4)12(14)15/h6-7H,1-5H3,(H,14,15).
What are the key properties of 2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid?
2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid has a molecular weight of 222.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 82286933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).