3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid

C15H22O2 — CID 79019407

IUPAC3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid
SMILESCC(C)Cc1ccc(C(C)(C)CC(=O)O)cc1
InChIInChI=1S/C15H22O2/c1-11(2)9-12-5-7-13(8-6-12)15(3,4)10-14(16)17/h5-8,11H,9-10H2,1-4H3,(H,16,17)
InChIKeyDFOIAVSIOMSJHE-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.64
Rot. Bonds5

About 3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid

3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid (PubChem CID 79019407) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid
PubChem CID79019407
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid
SMILESCC(C)Cc1ccc(C(C)(C)CC(=O)O)cc1
InChIInChI=1S/C15H22O2/c1-11(2)9-12-5-7-13(8-6-12)15(3,4)10-14(16)17/h5-8,11H,9-10H2,1-4H3,(H,16,17)
InChIKeyDFOIAVSIOMSJHE-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(2-hydroxyethyl)phenyl]-3-methylbutanoic acid
CID 115112927
3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid
CID 63535833
3-cyclopropyl-3-hydroxy-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 112507671
3-[4-[(1-hydroxycyclopropyl)methyl]phenyl]-3-methylbutanoic acid
CID 115112942
2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 82290776
2-[4-(2-methylpropyl)phenyl]butan-2-ol
CID 91656197
3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide
CID 65236691
1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene
CID 143199593
4-(2-methylpropyl)phenol;propanoic acid
CID 174874916
(2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol
CID 97294137
3-[3-(2-fluoropropyl)phenyl]-3-methylbutanoic acid
CID 117349432
2-[[2-methyl-2-[4-(2-methylpropyl)phenyl]propyl]amino]ethanol
CID 115216500

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid?
The IUPAC name of 3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid (CID 79019407) is 3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid.
What is the SMILES notation for 3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid?
The canonical SMILES for 3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid is CC(C)Cc1ccc(C(C)(C)CC(=O)O)cc1.
What is the InChIKey of 3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid?
The InChIKey is DFOIAVSIOMSJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11(2)9-12-5-7-13(8-6-12)15(3,4)10-14(16)17/h5-8,11H,9-10H2,1-4H3,(H,16,17).
What are the key properties of 3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid?
3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid has a molecular weight of 234.34 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid is sourced from PubChem (CID 79019407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).