2-methyl-2-(4-methylphenyl)propanedioic acid

C11H12O4 — CID 67424515

IUPAC2-methyl-2-(4-methylphenyl)propanedioic acid
SMILESCc1ccc(C(C)(C(=O)O)C(=O)O)cc1
InChIInChI=1S/C11H12O4/c1-7-3-5-8(6-4-7)11(2,9(12)13)10(14)15/h3-6H,1-2H3,(H,12,13)(H,14,15)
InChIKeyUQBVLUCDCVZOBJ-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.42
Rot. Bonds3

About 2-methyl-2-(4-methylphenyl)propanedioic acid

2-methyl-2-(4-methylphenyl)propanedioic acid (PubChem CID 67424515) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-methyl-2-(4-methylphenyl)propanedioic acid.

Molecular Properties

Compound Name2-methyl-2-(4-methylphenyl)propanedioic acid
PubChem CID67424515
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-methyl-2-(4-methylphenyl)propanedioic acid
SMILESCc1ccc(C(C)(C(=O)O)C(=O)O)cc1
InChIInChI=1S/C11H12O4/c1-7-3-5-8(6-4-7)11(2,9(12)13)10(14)15/h3-6H,1-2H3,(H,12,13)(H,14,15)
InChIKeyUQBVLUCDCVZOBJ-UHFFFAOYSA-N
XLogP1.42
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439
2-(4-methylphenyl)-2,2-diphenylacetic acid
CID 19733760
carbonic acid;1,4-xylene
CID 89415214
methyl 2-methyl-2-(4-methylphenyl)propanoate;2-methyl-2-(4-methylphenyl)propanoic acid
CID 160807405
3-methyl-3-(4-methylphenyl)pentanedioic acid
CID 13396095
1-tert-butyl-4-methylbenzene
CID 163486601
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
3-hydroxy-3-(4-methylphenyl)butan-2-one
CID 121217070
2-(4-methylphenyl)-2-propylsulfanylpropanoic acid
CID 114994475
2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300
3-fluoro-3-(4-methylphenyl)butanoic acid
CID 83818698
(2R)-2-amino-2-(4-methylphenyl)butanoic acid
CID 7046915

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylphenyl)propanedioic acid?
The IUPAC name of 2-methyl-2-(4-methylphenyl)propanedioic acid (CID 67424515) is 2-methyl-2-(4-methylphenyl)propanedioic acid.
What is the SMILES notation for 2-methyl-2-(4-methylphenyl)propanedioic acid?
The canonical SMILES for 2-methyl-2-(4-methylphenyl)propanedioic acid is Cc1ccc(C(C)(C(=O)O)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-(4-methylphenyl)propanedioic acid?
The InChIKey is UQBVLUCDCVZOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-7-3-5-8(6-4-7)11(2,9(12)13)10(14)15/h3-6H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-methyl-2-(4-methylphenyl)propanedioic acid?
2-methyl-2-(4-methylphenyl)propanedioic acid has a molecular weight of 208.21 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylphenyl)propanedioic acid is sourced from PubChem (CID 67424515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).