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

C15H20O3 — CID 116873822

IUPAC1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one
SMILESCCOc1ccc(C2(CC(C)=O)COC2)cc1C
InChIInChI=1S/C15H20O3/c1-4-18-14-6-5-13(7-11(14)2)15(8-12(3)16)9-17-10-15/h5-7H,4,8-10H2,1-3H3
InChIKeyYZRBGDMKZFITBT-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.64
Rot. Bonds5

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

1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one (PubChem CID 116873822) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one
PubChem CID116873822
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one
SMILESCCOc1ccc(C2(CC(C)=O)COC2)cc1C
InChIInChI=1S/C15H20O3/c1-4-18-14-6-5-13(7-11(14)2)15(8-12(3)16)9-17-10-15/h5-7H,4,8-10H2,1-3H3
InChIKeyYZRBGDMKZFITBT-UHFFFAOYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine
CID 116869656
2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid
CID 116872058
2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid
CID 116874334
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine
CID 116869361
1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 82286246
N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine
CID 112518586
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873839
1-[3-(3-chloro-4-ethoxyphenyl)oxetan-3-yl]ethanone
CID 116873724
methyl 1-(4-ethoxy-3-methylphenyl)-2-methylcyclopropane-1-carboxylate
CID 116842967
3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine
CID 116870870
3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide
CID 115185518
ethyl 2-[3-(4-chlorophenyl)oxetan-3-yl]acetate
CID 46204178

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one?
The IUPAC name of 1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one (CID 116873822) is 1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one.
What is the SMILES notation for 1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one?
The canonical SMILES for 1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one is CCOc1ccc(C2(CC(C)=O)COC2)cc1C.
What is the InChIKey of 1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one?
The InChIKey is YZRBGDMKZFITBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-4-18-14-6-5-13(7-11(14)2)15(8-12(3)16)9-17-10-15/h5-7H,4,8-10H2,1-3H3.
What are the key properties of 1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one?
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one has a molecular weight of 248.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one is sourced from PubChem (CID 116873822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).