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

C23H28O3S — CID 138972680

IUPAC2-[2-(4-methylsulfanyl-2,2-diphenyloxetan-3-yl)ethoxy]oxane
SMILESCSC1OC(c2ccccc2)(c2ccccc2)C1CCOC1CCCCO1
InChIInChI=1S/C23H28O3S/c1-27-22-20(15-17-25-21-14-8-9-16-24-21)23(26-22,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,20-22H,8-9,14-17H2,1H3
InChIKeyMMEKBZSOHLRYPV-UHFFFAOYSA-N
MW384.54 g/mol
LogP5.20
Rot. Bonds7

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

2-[2-(4-methylsulfanyl-2,2-diphenyloxetan-3-yl)ethoxy]oxane (PubChem CID 138972680) has the molecular formula C23H28O3S and a molecular weight of 384.54 g/mol. Its IUPAC name is 2-[2-(4-methylsulfanyl-2,2-diphenyloxetan-3-yl)ethoxy]oxane.

Molecular Properties

Compound Name2-[2-(4-methylsulfanyl-2,2-diphenyloxetan-3-yl)ethoxy]oxane
PubChem CID138972680
Molecular FormulaC23H28O3S
Molecular Weight384.54 g/mol
Exact Mass384.18
IUPAC Name2-[2-(4-methylsulfanyl-2,2-diphenyloxetan-3-yl)ethoxy]oxane
SMILESCSC1OC(c2ccccc2)(c2ccccc2)C1CCOC1CCCCO1
InChIInChI=1S/C23H28O3S/c1-27-22-20(15-17-25-21-14-8-9-16-24-21)23(26-22,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,20-22H,8-9,14-17H2,1H3
InChIKeyMMEKBZSOHLRYPV-UHFFFAOYSA-N
XLogP5.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-2-(2-hydroxyethylsulfanyl)ethanol
CID 87748055
1-[(2S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-2-(2-hydroxyethylsulfanyl)ethanol
CID 87748056
1-[(2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-2-(2-hydroxyethylsulfanyl)ethanol
CID 87748141
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
3-Methylsulfanyl-2,2-diphenyl-4-(1-phenylethyl)oxetane
CID 13814709
3-Methyl-3-methylsulfanyl-2,2-diphenyl-4-propan-2-yloxetane
CID 13814712
3-Methylsulfanyl-2,2-diphenyl-1-oxaspiro[3.5]nonane
CID 13814715
(2R,4R,5R)-5-methyl-2-phenyl-4-(phenylsulfanylmethyl)-1,3-dioxane
CID 15032891
3-Tert-butyl-4-methylsulfanyl-2,2-diphenyloxetane
CID 15696438
(2R,6S)-4-(dimethoxymethyl)-2,6-diphenyloxane
CID 102434550

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylsulfanyl-2,2-diphenyloxetan-3-yl)ethoxy]oxane?
The IUPAC name of 2-[2-(4-methylsulfanyl-2,2-diphenyloxetan-3-yl)ethoxy]oxane (CID 138972680) is 2-[2-(4-methylsulfanyl-2,2-diphenyloxetan-3-yl)ethoxy]oxane.
What is the SMILES notation for 2-[2-(4-methylsulfanyl-2,2-diphenyloxetan-3-yl)ethoxy]oxane?
The canonical SMILES for 2-[2-(4-methylsulfanyl-2,2-diphenyloxetan-3-yl)ethoxy]oxane is CSC1OC(c2ccccc2)(c2ccccc2)C1CCOC1CCCCO1.
What is the InChIKey of 2-[2-(4-methylsulfanyl-2,2-diphenyloxetan-3-yl)ethoxy]oxane?
The InChIKey is MMEKBZSOHLRYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O3S/c1-27-22-20(15-17-25-21-14-8-9-16-24-21)23(26-22,18-10-4-2-5-11-18)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-(4-methylsulfanyl-2,2-diphenyloxetan-3-yl)ethoxy]oxane?
2-[2-(4-methylsulfanyl-2,2-diphenyloxetan-3-yl)ethoxy]oxane has a molecular weight of 384.54 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylsulfanyl-2,2-diphenyloxetan-3-yl)ethoxy]oxane is sourced from PubChem (CID 138972680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).