1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol

C13H18O3S — CID 65145717

IUPAC1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol
SMILESO=S1(=O)CCC(O)(CCCc2ccccc2)C1
InChIInChI=1S/C13H18O3S/c14-13(9-10-17(15,16)11-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11H2
InChIKeyIPHACIMJLJTXAB-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.56
Rot. Bonds4

About 1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol

1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol (PubChem CID 65145717) has the molecular formula C13H18O3S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol.

Molecular Properties

Compound Name1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol
PubChem CID65145717
Molecular FormulaC13H18O3S
Molecular Weight254.35 g/mol
Exact Mass254.10
IUPAC Name1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol
SMILESO=S1(=O)CCC(O)(CCCc2ccccc2)C1
InChIInChI=1S/C13H18O3S/c14-13(9-10-17(15,16)11-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11H2
InChIKeyIPHACIMJLJTXAB-UHFFFAOYSA-N
XLogP1.56
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dioxo-3-(3-phenylpropyl)thiolan-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

1-methyl-4-(3-phenylpropyl)piperidin-4-ol
CID 65146368
2-(3-phenylpropyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 65146680
4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686
4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151412
3-(4-phenylbutyl)oxetan-3-ol
CID 86699932
8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962172
benzyl 2-(4-hydroxy-1,1-dioxothian-4-yl)acetate
CID 117272507
3-(benzylamino)-1,1-dioxothiolane-3-carboxylic acid
CID 63165985
3-ethyl-1,1-dioxothiolan-3-ol
CID 63162812
1-(4-phenylbutyl)cyclopropane-1-carboxylic acid
CID 114334160
4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151218
N-[1-(3-phenylpropyl)cyclohexyl]acetamide
CID 143104770

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol?
The IUPAC name of 1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol (CID 65145717) is 1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol.
What is the SMILES notation for 1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol?
The canonical SMILES for 1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol is O=S1(=O)CCC(O)(CCCc2ccccc2)C1.
What is the InChIKey of 1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol?
The InChIKey is IPHACIMJLJTXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3S/c14-13(9-10-17(15,16)11-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11H2.
What are the key properties of 1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol?
1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol has a molecular weight of 254.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol is sourced from PubChem (CID 65145717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).