2-[2-(3-methylsulfanyl-4,4-diphenyloxetan-2-yl)ethoxy]oxane

C23H28O3S — CID 134880390

IUPAC2-[2-(3-methylsulfanyl-4,4-diphenyloxetan-2-yl)ethoxy]oxane
SMILESCSC1C(CCOC2CCCCO2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28O3S/c1-27-22-20(15-17-25-21-14-8-9-16-24-21)26-23(22,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,20-22H,8-9,14-17H2,1H3
InChIKeyOCJOOJPSRKSHMF-UHFFFAOYSA-N
MW384.54 g/mol
LogP4.99
Rot. Bonds7

About 2-[2-(3-methylsulfanyl-4,4-diphenyloxetan-2-yl)ethoxy]oxane

2-[2-(3-methylsulfanyl-4,4-diphenyloxetan-2-yl)ethoxy]oxane (PubChem CID 134880390) has the molecular formula C23H28O3S and a molecular weight of 384.54 g/mol. Its IUPAC name is 2-[2-(3-methylsulfanyl-4,4-diphenyloxetan-2-yl)ethoxy]oxane.

Molecular Properties

Compound Name2-[2-(3-methylsulfanyl-4,4-diphenyloxetan-2-yl)ethoxy]oxane
PubChem CID134880390
Molecular FormulaC23H28O3S
Molecular Weight384.54 g/mol
Exact Mass384.18
IUPAC Name2-[2-(3-methylsulfanyl-4,4-diphenyloxetan-2-yl)ethoxy]oxane
SMILESCSC1C(CCOC2CCCCO2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28O3S/c1-27-22-20(15-17-25-21-14-8-9-16-24-21)26-23(22,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,20-22H,8-9,14-17H2,1H3
InChIKeyOCJOOJPSRKSHMF-UHFFFAOYSA-N
XLogP4.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-methylsulfanyl-4,4-diphenyloxetan-2-yl)ethoxy]oxane 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

1,3-Dioxane, 4,4-dimethyl-2,6-diphenyl-
CID 53425980
2H-Pyran, 2-(diphenylmethoxy)tetrahydro-
CID 11043774
2-[(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethoxy]oxane
CID 142971539
3-Methylsulfanyl-2,2-diphenyl-4-propyloxetane
CID 13814700
3-Methylsulfanyl-2,2-diphenyl-4-propan-2-yloxetane
CID 13814703
4-Tert-butyl-3-methylsulfanyl-2,2-diphenyloxetane
CID 13814706
3-Methylsulfanyl-2,2-diphenyl-4-(1-phenylethyl)oxetane
CID 13814709
3-Methyl-3-methylsulfanyl-2,2-diphenyl-4-propan-2-yloxetane
CID 13814712
(2R,4R,5R)-5-methyl-2-phenyl-4-(phenylsulfanylmethyl)-1,3-dioxane
CID 15032891
2-Methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 134832275
2-[(2R,3R)-2-(trityloxymethyl)thietan-3-yl]oxyoxane
CID 134927771
2-[(4-Methylphenyl)-phenylmethoxy]oxane
CID 134956694

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylsulfanyl-4,4-diphenyloxetan-2-yl)ethoxy]oxane?
The IUPAC name of 2-[2-(3-methylsulfanyl-4,4-diphenyloxetan-2-yl)ethoxy]oxane (CID 134880390) is 2-[2-(3-methylsulfanyl-4,4-diphenyloxetan-2-yl)ethoxy]oxane.
What is the SMILES notation for 2-[2-(3-methylsulfanyl-4,4-diphenyloxetan-2-yl)ethoxy]oxane?
The canonical SMILES for 2-[2-(3-methylsulfanyl-4,4-diphenyloxetan-2-yl)ethoxy]oxane is CSC1C(CCOC2CCCCO2)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-(3-methylsulfanyl-4,4-diphenyloxetan-2-yl)ethoxy]oxane?
The InChIKey is OCJOOJPSRKSHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O3S/c1-27-22-20(15-17-25-21-14-8-9-16-24-21)26-23(22,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,20-22H,8-9,14-17H2,1H3.
What are the key properties of 2-[2-(3-methylsulfanyl-4,4-diphenyloxetan-2-yl)ethoxy]oxane?
2-[2-(3-methylsulfanyl-4,4-diphenyloxetan-2-yl)ethoxy]oxane has a molecular weight of 384.54 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylsulfanyl-4,4-diphenyloxetan-2-yl)ethoxy]oxane is sourced from PubChem (CID 134880390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).