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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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).