2-methyl-2-(2-methyl-4-phenylsulfanylphenyl)oxetane

C17H18OS — CID 134965463

IUPAC2-methyl-2-(2-methyl-4-phenylsulfanylphenyl)oxetane
SMILESCc1cc(Sc2ccccc2)ccc1C1(C)CCO1
InChIInChI=1S/C17H18OS/c1-13-12-15(19-14-6-4-3-5-7-14)8-9-16(13)17(2)10-11-18-17/h3-9,12H,10-11H2,1-2H3
InChIKeyCMZDBPGQWNPUGO-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.78
Rot. Bonds3

About 2-methyl-2-(2-methyl-4-phenylsulfanylphenyl)oxetane

2-methyl-2-(2-methyl-4-phenylsulfanylphenyl)oxetane (PubChem CID 134965463) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-methyl-2-(2-methyl-4-phenylsulfanylphenyl)oxetane.

Molecular Properties

Compound Name2-methyl-2-(2-methyl-4-phenylsulfanylphenyl)oxetane
PubChem CID134965463
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name2-methyl-2-(2-methyl-4-phenylsulfanylphenyl)oxetane
SMILESCc1cc(Sc2ccccc2)ccc1C1(C)CCO1
InChIInChI=1S/C17H18OS/c1-13-12-15(19-14-6-4-3-5-7-14)8-9-16(13)17(2)10-11-18-17/h3-9,12H,10-11H2,1-2H3
InChIKeyCMZDBPGQWNPUGO-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2-Ethoxy-2-phenylethyl)sulfanyl]benzene
CID 13207462
4-Methylthiobenzyl ether
CID 139755636
4-[3-[4-[(4-Fluorophenyl)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane
CID 9866168
1-[4-[3-Fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propane-1-thione
CID 18996072
4-[3-[4-[1-(4-Fluorophenyl)ethyl]phenyl]sulfanylphenyl]-4-methoxyoxane
CID 19106767
4-[3-Fluoro-5-[4-[(4-fluorophenyl)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane
CID 19106785
4-[3-[4-[(2,4-Difluorophenyl)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane
CID 19106788
4-[3-[4-[1-(4-Fluorophenyl)-1-methoxyethyl]phenyl]sulfanylphenyl]-4-methoxyoxane
CID 19106790
O-{4-[5-fluoro-3-(4-methoxytetrahydropyran-4-yl)phenylthio]benzyl}hydroxylamine
CID 19379934
[4-[3-Fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanol
CID 19382467
3-[3-(4-Tert-butylphenyl)sulfanyl-5-fluorophenyl]-3-methoxy-2-methyloxolane
CID 19764785
4-(3-Benzylsulfanyl-5-fluorophenyl)-4-methoxyoxane
CID 19785595

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methyl-4-phenylsulfanylphenyl)oxetane?
The IUPAC name of 2-methyl-2-(2-methyl-4-phenylsulfanylphenyl)oxetane (CID 134965463) is 2-methyl-2-(2-methyl-4-phenylsulfanylphenyl)oxetane.
What is the SMILES notation for 2-methyl-2-(2-methyl-4-phenylsulfanylphenyl)oxetane?
The canonical SMILES for 2-methyl-2-(2-methyl-4-phenylsulfanylphenyl)oxetane is Cc1cc(Sc2ccccc2)ccc1C1(C)CCO1.
What is the InChIKey of 2-methyl-2-(2-methyl-4-phenylsulfanylphenyl)oxetane?
The InChIKey is CMZDBPGQWNPUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c1-13-12-15(19-14-6-4-3-5-7-14)8-9-16(13)17(2)10-11-18-17/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 2-methyl-2-(2-methyl-4-phenylsulfanylphenyl)oxetane?
2-methyl-2-(2-methyl-4-phenylsulfanylphenyl)oxetane has a molecular weight of 270.40 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methyl-4-phenylsulfanylphenyl)oxetane is sourced from PubChem (CID 134965463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).