2-[(4-phenylphenyl)sulfanylmethyl]oxolane

C17H18OS — CID 60518989

IUPAC2-[(4-phenylphenyl)sulfanylmethyl]oxolane
SMILESc1ccc(-c2ccc(SCC3CCCO3)cc2)cc1
InChIInChI=1S/C17H18OS/c1-2-5-14(6-3-1)15-8-10-17(11-9-15)19-13-16-7-4-12-18-16/h1-3,5-6,8-11,16H,4,7,12-13H2
InChIKeyZDXAVTDLKWSCAI-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.62
Rot. Bonds4

About 2-[(4-phenylphenyl)sulfanylmethyl]oxolane

2-[(4-phenylphenyl)sulfanylmethyl]oxolane (PubChem CID 60518989) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)sulfanylmethyl]oxolane.

Molecular Properties

Compound Name2-[(4-phenylphenyl)sulfanylmethyl]oxolane
PubChem CID60518989
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name2-[(4-phenylphenyl)sulfanylmethyl]oxolane
SMILESc1ccc(-c2ccc(SCC3CCCO3)cc2)cc1
InChIInChI=1S/C17H18OS/c1-2-5-14(6-3-1)15-8-10-17(11-9-15)19-13-16-7-4-12-18-16/h1-3,5-6,8-11,16H,4,7,12-13H2
InChIKeyZDXAVTDLKWSCAI-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(oxolan-2-ylmethylsulfanyl)aniline
CID 43299447
4-(oxan-2-ylmethylsulfanyl)aniline
CID 43299346
2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole
CID 43834769
1-[[(2S)-oxolan-2-yl]methyl]-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-5-phenylimidazole
CID 94578664
2-amino-4-(oxolan-2-ylmethylsulfanyl)benzonitrile
CID 106494047
[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol
CID 106496659
(1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
CID 106496640
1-[2-chloro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanone
CID 106494659
2-amino-5-(oxolan-2-ylmethylsulfanyl)benzamide
CID 106495136
[2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine
CID 106494963
3-methyl-5-(oxolan-2-ylmethylsulfanyl)aniline
CID 106493960
2-(3-nitrophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 1467914

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)sulfanylmethyl]oxolane?
The IUPAC name of 2-[(4-phenylphenyl)sulfanylmethyl]oxolane (CID 60518989) is 2-[(4-phenylphenyl)sulfanylmethyl]oxolane.
What is the SMILES notation for 2-[(4-phenylphenyl)sulfanylmethyl]oxolane?
The canonical SMILES for 2-[(4-phenylphenyl)sulfanylmethyl]oxolane is c1ccc(-c2ccc(SCC3CCCO3)cc2)cc1.
What is the InChIKey of 2-[(4-phenylphenyl)sulfanylmethyl]oxolane?
The InChIKey is ZDXAVTDLKWSCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c1-2-5-14(6-3-1)15-8-10-17(11-9-15)19-13-16-7-4-12-18-16/h1-3,5-6,8-11,16H,4,7,12-13H2.
What are the key properties of 2-[(4-phenylphenyl)sulfanylmethyl]oxolane?
2-[(4-phenylphenyl)sulfanylmethyl]oxolane has a molecular weight of 270.40 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)sulfanylmethyl]oxolane is sourced from PubChem (CID 60518989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).