2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid

C15H22O2 — CID 83148791

IUPAC2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid
SMILESCc1cc(C)cc(CC(C)(C(=O)O)C(C)C)c1
InChIInChI=1S/C15H22O2/c1-10(2)15(5,14(16)17)9-13-7-11(3)6-12(4)8-13/h6-8,10H,9H2,1-5H3,(H,16,17)
InChIKeyCGAWNRIDMHPXJH-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.59
Rot. Bonds4

About 2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid

2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid (PubChem CID 83148791) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid
PubChem CID83148791
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid
SMILESCc1cc(C)cc(CC(C)(C(=O)O)C(C)C)c1
InChIInChI=1S/C15H22O2/c1-10(2)15(5,14(16)17)9-13-7-11(3)6-12(4)8-13/h6-8,10H,9H2,1-5H3,(H,16,17)
InChIKeyCGAWNRIDMHPXJH-UHFFFAOYSA-N
XLogP3.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid
CID 83148534
2-[(4-iodophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149161
2-[(4-fluorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149275
2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149411
2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid
CID 83148678
2-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83148806
2-[(3-bromo-4-methoxyphenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149674
2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid
CID 106489052
(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid
CID 159806764
5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one
CID 64716140
3-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;ethane
CID 142299753
ethyl 2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-3-methylbutanoate
CID 106488690

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid (CID 83148791) is 2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid is Cc1cc(C)cc(CC(C)(C(=O)O)C(C)C)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid?
The InChIKey is CGAWNRIDMHPXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10(2)15(5,14(16)17)9-13-7-11(3)6-12(4)8-13/h6-8,10H,9H2,1-5H3,(H,16,17).
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid?
2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid has a molecular weight of 234.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid is sourced from PubChem (CID 83148791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).