1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one

C15H20O2 — CID 116873804

IUPAC1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one
SMILESCCCc1ccc(C2(CC(C)=O)COC2)cc1
InChIInChI=1S/C15H20O2/c1-3-4-13-5-7-14(8-6-13)15(9-12(2)16)10-17-11-15/h5-8H,3-4,9-11H2,1-2H3
InChIKeyRPCQEQJMNKGXPZ-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.89
Rot. Bonds5

About 1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one

1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one (PubChem CID 116873804) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one
PubChem CID116873804
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one
SMILESCCCc1ccc(C2(CC(C)=O)COC2)cc1
InChIInChI=1S/C15H20O2/c1-3-4-13-5-7-14(8-6-13)15(9-12(2)16)10-17-11-15/h5-8H,3-4,9-11H2,1-2H3
InChIKeyRPCQEQJMNKGXPZ-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-propylphenyl)oxetan-3-yl]methanamine
CID 116829594
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873822
3-[3-(4-propylphenyl)oxetan-3-yl]butanoic acid
CID 116872106
[3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol
CID 116875139
1-(4-propylphenyl)propan-2-one
CID 82490574
[3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone
CID 116922560
2-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]acetic acid
CID 116871876
ethyl 2-[3-(4-chlorophenyl)oxetan-3-yl]acetate
CID 46204178
1-(4-propylphenyl)cyclopentan-1-ol
CID 62802063
1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570
3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid
CID 115248420
4-(4-propylphenyl)oxane-4-carbohydrazide
CID 116844573

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one?
The IUPAC name of 1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one (CID 116873804) is 1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one.
What is the SMILES notation for 1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one?
The canonical SMILES for 1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one is CCCc1ccc(C2(CC(C)=O)COC2)cc1.
What is the InChIKey of 1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one?
The InChIKey is RPCQEQJMNKGXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-4-13-5-7-14(8-6-13)15(9-12(2)16)10-17-11-15/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one?
1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one has a molecular weight of 232.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one is sourced from PubChem (CID 116873804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).