2-methyl-2-[(2-methylphenyl)methyl]butanoic acid

C13H18O2 — CID 62740104

IUPAC2-methyl-2-[(2-methylphenyl)methyl]butanoic acid
SMILESCCC(C)(Cc1ccccc1C)C(=O)O
InChIInChI=1S/C13H18O2/c1-4-13(3,12(14)15)9-11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3,(H,14,15)
InChIKeyUYECWFMGUFETLP-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.04
Rot. Bonds4

About 2-methyl-2-[(2-methylphenyl)methyl]butanoic acid

2-methyl-2-[(2-methylphenyl)methyl]butanoic acid (PubChem CID 62740104) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylphenyl)methyl]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylphenyl)methyl]butanoic acid
PubChem CID62740104
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-methyl-2-[(2-methylphenyl)methyl]butanoic acid
SMILESCCC(C)(Cc1ccccc1C)C(=O)O
InChIInChI=1S/C13H18O2/c1-4-13(3,12(14)15)9-11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3,(H,14,15)
InChIKeyUYECWFMGUFETLP-UHFFFAOYSA-N
XLogP3.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-[(2-methylphenyl)methyl]pentanoic acid
CID 62738371
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylbutanoic acid
CID 105372510
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
2-methyl-2-[(2-methyl-3-nitrophenyl)methyl]butanoic acid
CID 62740425
2-ethyl-2-[(2-methylphenyl)methyl]hexanoic acid
CID 63402696
2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid
CID 106489346
2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid
CID 106509102
3,3-dimethyl-1-(2-methylphenyl)pentan-2-one
CID 62677864
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
(2R)-2-amino-2-[(2-methylphenyl)methyl]but-3-enoic acid;hydrochloride
CID 22821412
2-(2-methylphenyl)acetic acid
CID 67440217
2,2-dimethyl-4-(2-methylphenyl)butanoic acid
CID 15063545

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylphenyl)methyl]butanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylphenyl)methyl]butanoic acid (CID 62740104) is 2-methyl-2-[(2-methylphenyl)methyl]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylphenyl)methyl]butanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylphenyl)methyl]butanoic acid is CCC(C)(Cc1ccccc1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylphenyl)methyl]butanoic acid?
The InChIKey is UYECWFMGUFETLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-13(3,12(14)15)9-11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-2-[(2-methylphenyl)methyl]butanoic acid?
2-methyl-2-[(2-methylphenyl)methyl]butanoic acid has a molecular weight of 206.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylphenyl)methyl]butanoic acid is sourced from PubChem (CID 62740104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).