3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid

C16H22O3 — CID 116871921

IUPAC3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid
SMILESCC(C)Cc1ccc(C2(CCC(=O)O)COC2)cc1
InChIInChI=1S/C16H22O3/c1-12(2)9-13-3-5-14(6-4-13)16(10-19-11-16)8-7-15(17)18/h3-6,12H,7-11H2,1-2H3,(H,17,18)
InChIKeyGUXHVBJBJZELJC-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.02
Rot. Bonds6

About 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid

3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid (PubChem CID 116871921) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid
PubChem CID116871921
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid
SMILESCC(C)Cc1ccc(C2(CCC(=O)O)COC2)cc1
InChIInChI=1S/C16H22O3/c1-12(2)9-13-3-5-14(6-4-13)16(10-19-11-16)8-7-15(17)18/h3-6,12H,7-11H2,1-2H3,(H,17,18)
InChIKeyGUXHVBJBJZELJC-UHFFFAOYSA-N
XLogP3.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid
CID 116872045
[1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol
CID 116874719
2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol
CID 116874468
3-[3-(2-oxo-3H-1,3-benzoxazol-5-yl)oxetan-3-yl]propanoic acid
CID 116871960
3-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]propanoic acid
CID 116871930
3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine
CID 116870189
3-[1-(4-chlorophenyl)cyclopropyl]propanoic acid
CID 66685624
3-[4-(2-methylpropyl)phenyl]sulfonylpropanoic acid
CID 93189570
3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid
CID 65055124
4-(2-methylpropyl)phenol;propanoic acid
CID 174874916
[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol
CID 115248876
[2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol
CID 116842625

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid?
The IUPAC name of 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid (CID 116871921) is 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid.
What is the SMILES notation for 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid?
The canonical SMILES for 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid is CC(C)Cc1ccc(C2(CCC(=O)O)COC2)cc1.
What is the InChIKey of 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid?
The InChIKey is GUXHVBJBJZELJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-12(2)9-13-3-5-14(6-4-13)16(10-19-11-16)8-7-15(17)18/h3-6,12H,7-11H2,1-2H3,(H,17,18).
What are the key properties of 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid?
3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid is sourced from PubChem (CID 116871921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).