(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid

C12H16O2 — CID 94240670

IUPAC(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
SMILESCc1ccc(C[C@@H](C)C(=O)O)cc1C
InChIInChI=1S/C12H16O2/c1-8-4-5-11(6-9(8)2)7-10(3)12(13)14/h4-6,10H,7H2,1-3H3,(H,13,14)/t10-/m1/s1
InChIKeyPNLCOKWREQQBPM-SNVBAGLBSA-N
MW192.26 g/mol
LogP2.57
Rot. Bonds3

About (2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid

(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid (PubChem CID 94240670) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
PubChem CID94240670
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
SMILESCc1ccc(C[C@@H](C)C(=O)O)cc1C
InChIInChI=1S/C12H16O2/c1-8-4-5-11(6-9(8)2)7-10(3)12(13)14/h4-6,10H,7H2,1-3H3,(H,13,14)/t10-/m1/s1
InChIKeyPNLCOKWREQQBPM-SNVBAGLBSA-N
XLogP2.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(carboxymethyl)-3-methylphenyl]-2-methylpropanoic acid
CID 171338440
3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid
CID 83703696
3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid
CID 84674441
3-(4-ethyl-3-methylphenyl)-2-methylpropanoic acid
CID 117295148
2-methyl-3-(3-methyl-4-methylsulfonylphenyl)propanoic acid
CID 117394359
2-methyl-3-(4-methyl-3-methylsulfonylphenyl)propanoic acid
CID 117394356
(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
CID 56845605
(2R)-2-[(3,4-dimethylphenyl)methyl]butanoic acid
CID 94240674
(2R)-3-(3,4-dimethylphenyl)-2-propan-2-yloxypropanoic acid
CID 100528815
2-[(3,4-dimethylphenyl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103973412
3-[3,4-bis(methylsulfanyl)phenyl]-2-methylpropanoic acid
CID 117394680
(2S)-2-(3,4-dimethylphenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528641

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid?
The IUPAC name of (2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid (CID 94240670) is (2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid is Cc1ccc(C[C@@H](C)C(=O)O)cc1C.
What is the InChIKey of (2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid?
The InChIKey is PNLCOKWREQQBPM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-4-5-11(6-9(8)2)7-10(3)12(13)14/h4-6,10H,7H2,1-3H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid?
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid has a molecular weight of 192.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 94240670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).