2,2-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid

C16H24O3 — CID 98017575

IUPAC2,2-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid
SMILESCC(C)(C)Oc1ccc(CCC(C)(C)C(=O)O)cc1
InChIInChI=1S/C16H24O3/c1-15(2,3)19-13-8-6-12(7-9-13)10-11-16(4,5)14(17)18/h6-9H,10-11H2,1-5H3,(H,17,18)
InChIKeyQZEUDLALOUOSGF-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.91
Rot. Bonds5

About 2,2-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid

2,2-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid (PubChem CID 98017575) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2,2-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid
PubChem CID98017575
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2,2-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid
SMILESCC(C)(C)Oc1ccc(CCC(C)(C)C(=O)O)cc1
InChIInChI=1S/C16H24O3/c1-15(2,3)19-13-8-6-12(7-9-13)10-11-16(4,5)14(17)18/h6-9H,10-11H2,1-5H3,(H,17,18)
InChIKeyQZEUDLALOUOSGF-UHFFFAOYSA-N
XLogP3.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4-methoxyphenyl)-2,2-dimethylheptanoic acid
CID 139937428
2,2-dimethyl-4-(1-methylpyridin-1-ium-4-yl)butanoic acid
CID 153418584
1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene
CID 19097569
4-(3,4-dimethoxyphenyl)-2,2-dimethylbutanoic acid
CID 65298131
tris(4-(4-bromophenyl)-2,2-dimethylbutanoic acid);molecular iodine;tris(sulfur dioxide)
CID 161447417
2,2-dimethyl-4-(3-methylphenyl)butanoic acid
CID 69050886
4-(3,4-difluorophenyl)-2,2-dimethylbutanoic acid
CID 65298322
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide
CID 17245093
5-[4-(4,4-dimethyl-5-oxohexyl)phenyl]-2,2-dimethylpentanoic acid
CID 164595150
(2S)-2-amino-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 93380969
1-methyl-4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]benzene
CID 172807239
1-diazo-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one
CID 57025166

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid?
The IUPAC name of 2,2-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid (CID 98017575) is 2,2-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid is CC(C)(C)Oc1ccc(CCC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2,2-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid?
The InChIKey is QZEUDLALOUOSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-15(2,3)19-13-8-6-12(7-9-13)10-11-16(4,5)14(17)18/h6-9H,10-11H2,1-5H3,(H,17,18).
What are the key properties of 2,2-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid?
2,2-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid has a molecular weight of 264.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid is sourced from PubChem (CID 98017575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).