4-(3-ethylphenoxy)-1,1-dioxothiolan-3-ol

C12H16O4S — CID 60877831

IUPAC4-(3-ethylphenoxy)-1,1-dioxothiolan-3-ol
SMILESCCc1cccc(OC2CS(=O)(=O)CC2O)c1
InChIInChI=1S/C12H16O4S/c1-2-9-4-3-5-10(6-9)16-12-8-17(14,15)7-11(12)13/h3-6,11-13H,2,7-8H2,1H3
InChIKeyUEBBRNBHYVSLQE-UHFFFAOYSA-N
MW256.32 g/mol
LogP0.79
Rot. Bonds3

About 4-(3-ethylphenoxy)-1,1-dioxothiolan-3-ol

4-(3-ethylphenoxy)-1,1-dioxothiolan-3-ol (PubChem CID 60877831) has the molecular formula C12H16O4S and a molecular weight of 256.32 g/mol. Its IUPAC name is 4-(3-ethylphenoxy)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(3-ethylphenoxy)-1,1-dioxothiolan-3-ol
PubChem CID60877831
Molecular FormulaC12H16O4S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC Name4-(3-ethylphenoxy)-1,1-dioxothiolan-3-ol
SMILESCCc1cccc(OC2CS(=O)(=O)CC2O)c1
InChIInChI=1S/C12H16O4S/c1-2-9-4-3-5-10(6-9)16-12-8-17(14,15)7-11(12)13/h3-6,11-13H,2,7-8H2,1H3
InChIKeyUEBBRNBHYVSLQE-UHFFFAOYSA-N
XLogP0.79
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-ethylphenoxy)-1,1-dioxothiolan-3-ol 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

4-[3-(methylaminomethyl)phenoxy]-1,1-dioxothiolan-3-ol
CID 60882599
trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol
CID 102732466
4-[4-(2-hydroxypropyl)phenoxy]-1,1-dioxothiolan-3-ol
CID 115495876
3-(3-ethylphenoxy)cyclopentan-1-ol
CID 79632352
3-[3-(1,1-dioxothietan-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117457795
4-[4-[(tert-butylamino)methyl]phenoxy]-1,1-dioxothiolan-3-ol
CID 63062037
(3-ethylphenoxy)cyclooctane
CID 91220327
methyl 3-(4-amino-1,1-dioxothiolan-3-yl)oxybenzoate
CID 117053605
4-[4-(1-aminoethyl)-3-fluorophenoxy]-1,1-dioxothiolan-3-ol
CID 107716005
4-[4-[1-(ethylamino)propyl]phenoxy]-1,1-dioxothiolan-3-ol
CID 60889931
1-(3-bromocyclobutyl)oxy-3-ethylbenzene
CID 66345315
N-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine
CID 63474204

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenoxy)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(3-ethylphenoxy)-1,1-dioxothiolan-3-ol (CID 60877831) is 4-(3-ethylphenoxy)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(3-ethylphenoxy)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(3-ethylphenoxy)-1,1-dioxothiolan-3-ol is CCc1cccc(OC2CS(=O)(=O)CC2O)c1.
What is the InChIKey of 4-(3-ethylphenoxy)-1,1-dioxothiolan-3-ol?
The InChIKey is UEBBRNBHYVSLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4S/c1-2-9-4-3-5-10(6-9)16-12-8-17(14,15)7-11(12)13/h3-6,11-13H,2,7-8H2,1H3.
What are the key properties of 4-(3-ethylphenoxy)-1,1-dioxothiolan-3-ol?
4-(3-ethylphenoxy)-1,1-dioxothiolan-3-ol has a molecular weight of 256.32 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenoxy)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 60877831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).