3-[3-(4-propylphenyl)oxetan-3-yl]butanoic acid

C16H22O3 — CID 116872106

IUPAC3-[3-(4-propylphenyl)oxetan-3-yl]butanoic acid
SMILESCCCc1ccc(C2(C(C)CC(=O)O)COC2)cc1
InChIInChI=1S/C16H22O3/c1-3-4-13-5-7-14(8-6-13)16(10-19-11-16)12(2)9-15(17)18/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyFIBWMBIDZOCBCP-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.02
Rot. Bonds6

About 3-[3-(4-propylphenyl)oxetan-3-yl]butanoic acid

3-[3-(4-propylphenyl)oxetan-3-yl]butanoic acid (PubChem CID 116872106) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[3-(4-propylphenyl)oxetan-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[3-(4-propylphenyl)oxetan-3-yl]butanoic acid
PubChem CID116872106
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3-[3-(4-propylphenyl)oxetan-3-yl]butanoic acid
SMILESCCCc1ccc(C2(C(C)CC(=O)O)COC2)cc1
InChIInChI=1S/C16H22O3/c1-3-4-13-5-7-14(8-6-13)16(10-19-11-16)12(2)9-15(17)18/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyFIBWMBIDZOCBCP-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

[3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol
CID 116875139
1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one
CID 116873804
2-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid
CID 116872045
[3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone
CID 116922560
(3R)-3-amino-3-(4-propylphenyl)propanoic acid
CID 95997919
[3-(4-propylphenyl)oxetan-3-yl]methanamine
CID 116829594
3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid
CID 115248420
3-methyl-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid
CID 115164577
2-methyl-3-(4-propylphenyl)butanoic acid
CID 79730190
3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid
CID 115181300
3-(diethylamino)-4-(4-propylphenyl)butanoic acid
CID 82352486
2-(4-propylphenyl)propanoic acid
CID 14880971

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-propylphenyl)oxetan-3-yl]butanoic acid?
The IUPAC name of 3-[3-(4-propylphenyl)oxetan-3-yl]butanoic acid (CID 116872106) is 3-[3-(4-propylphenyl)oxetan-3-yl]butanoic acid.
What is the SMILES notation for 3-[3-(4-propylphenyl)oxetan-3-yl]butanoic acid?
The canonical SMILES for 3-[3-(4-propylphenyl)oxetan-3-yl]butanoic acid is CCCc1ccc(C2(C(C)CC(=O)O)COC2)cc1.
What is the InChIKey of 3-[3-(4-propylphenyl)oxetan-3-yl]butanoic acid?
The InChIKey is FIBWMBIDZOCBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-4-13-5-7-14(8-6-13)16(10-19-11-16)12(2)9-15(17)18/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,18).
What are the key properties of 3-[3-(4-propylphenyl)oxetan-3-yl]butanoic acid?
3-[3-(4-propylphenyl)oxetan-3-yl]butanoic 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-propylphenyl)oxetan-3-yl]butanoic acid is sourced from PubChem (CID 116872106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).