2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid

C15H22O2 — CID 82290776

IUPAC2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid
SMILESCC(C)Cc1ccc(CC(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H22O2/c1-11(2)9-12-5-7-13(8-6-12)10-15(3,4)14(16)17/h5-8,11H,9-10H2,1-4H3,(H,16,17)
InChIKeyVTCSYZMDERSOPE-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.54
Rot. Bonds5

About 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid

2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid (PubChem CID 82290776) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid
PubChem CID82290776
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid
SMILESCC(C)Cc1ccc(CC(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H22O2/c1-11(2)9-12-5-7-13(8-6-12)10-15(3,4)14(16)17/h5-8,11H,9-10H2,1-4H3,(H,16,17)
InChIKeyVTCSYZMDERSOPE-UHFFFAOYSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-3-(4-sulfanylphenyl)propanoic acid
CID 3354333
3-(4-methoxycarbonylphenyl)-2,2-dimethylpropanoic acid
CID 138111814
3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid
CID 79019407
2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid
CID 79304173
2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 95443580
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788
3,3-dimethyl-2-[4-[4-(2-methylpropyl)phenyl]phenyl]butanoic acid
CID 71065139
3-(4-cyclobutylphenyl)-2,2-dimethylpropanoic acid
CID 117336660
3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid
CID 63535833
3-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 156541484
3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid
CID 115112809
2,2-dimethyl-3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]propanoic acid
CID 117487186

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid (CID 82290776) is 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid is CC(C)Cc1ccc(CC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid?
The InChIKey is VTCSYZMDERSOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11(2)9-12-5-7-13(8-6-12)10-15(3,4)14(16)17/h5-8,11H,9-10H2,1-4H3,(H,16,17).
What are the key properties of 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid?
2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid has a molecular weight of 234.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid is sourced from PubChem (CID 82290776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).