1-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]ethanone

C13H16O2S — CID 116873753

IUPAC1-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]ethanone
SMILESCCSc1ccc(C2(C(C)=O)COC2)cc1
InChIInChI=1S/C13H16O2S/c1-3-16-12-6-4-11(5-7-12)13(10(2)14)8-15-9-13/h4-7H,3,8-9H2,1-2H3
InChIKeyVVHGTOPYEVFGPL-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.66
Rot. Bonds4

About 1-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]ethanone

1-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]ethanone (PubChem CID 116873753) has the molecular formula C13H16O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]ethanone
PubChem CID116873753
Molecular FormulaC13H16O2S
Molecular Weight236.34 g/mol
Exact Mass236.09
IUPAC Name1-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]ethanone
SMILESCCSc1ccc(C2(C(C)=O)COC2)cc1
InChIInChI=1S/C13H16O2S/c1-3-16-12-6-4-11(5-7-12)13(10(2)14)8-15-9-13/h4-7H,3,8-9H2,1-2H3
InChIKeyVVHGTOPYEVFGPL-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]acetic acid
CID 116871876
2-(4-ethylsulfanylphenyl)-2-methyloxirane
CID 82469117
3-(4-ethylsulfanylbenzoyl)oxetane-3-carbonitrile
CID 116922296
1-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanone
CID 116873703
1-[3-(3-chloro-4-ethoxyphenyl)oxetan-3-yl]ethanone
CID 116873724
3-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]butan-1-amine
CID 116870219
1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone
CID 116873695
methyl 1-(4-ethylsulfanylphenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842856
3-(4-butan-2-ylphenyl)oxetane-3-carboxamide
CID 116876145
1-(6-ethylsulfanylnaphthalen-2-yl)ethanone
CID 22152811
2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone
CID 106848056
[1-(4-ethylsulfanylphenyl)cyclobutyl]methanol
CID 116963789

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]ethanone?
The IUPAC name of 1-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]ethanone (CID 116873753) is 1-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]ethanone.
What is the SMILES notation for 1-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]ethanone?
The canonical SMILES for 1-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]ethanone is CCSc1ccc(C2(C(C)=O)COC2)cc1.
What is the InChIKey of 1-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]ethanone?
The InChIKey is VVHGTOPYEVFGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2S/c1-3-16-12-6-4-11(5-7-12)13(10(2)14)8-15-9-13/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]ethanone?
1-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]ethanone has a molecular weight of 236.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]ethanone is sourced from PubChem (CID 116873753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).