4-[[(S)-(4-phenylphenyl)methylsulfinyl]methyl]oxane

C19H22O2S — CID 97243520

IUPAC4-[[(S)-(4-phenylphenyl)methylsulfinyl]methyl]oxane
SMILESO=[S@](Cc1ccc(-c2ccccc2)cc1)CC1CCOCC1
InChIInChI=1S/C19H22O2S/c20-22(15-17-10-12-21-13-11-17)14-16-6-8-19(9-7-16)18-4-2-1-3-5-18/h1-9,17H,10-15H2/t22-/m1/s1
InChIKeyBWWFSPNOKSKFGJ-JOCHJYFZSA-N
MW314.45 g/mol
LogP4.03
Rot. Bonds5

About 4-[[(S)-(4-phenylphenyl)methylsulfinyl]methyl]oxane

4-[[(S)-(4-phenylphenyl)methylsulfinyl]methyl]oxane (PubChem CID 97243520) has the molecular formula C19H22O2S and a molecular weight of 314.45 g/mol. Its IUPAC name is 4-[[(S)-(4-phenylphenyl)methylsulfinyl]methyl]oxane.

Molecular Properties

Compound Name4-[[(S)-(4-phenylphenyl)methylsulfinyl]methyl]oxane
PubChem CID97243520
Molecular FormulaC19H22O2S
Molecular Weight314.45 g/mol
Exact Mass314.13
IUPAC Name4-[[(S)-(4-phenylphenyl)methylsulfinyl]methyl]oxane
SMILESO=[S@](Cc1ccc(-c2ccccc2)cc1)CC1CCOCC1
InChIInChI=1S/C19H22O2S/c20-22(15-17-10-12-21-13-11-17)14-16-6-8-19(9-7-16)18-4-2-1-3-5-18/h1-9,17H,10-15H2/t22-/m1/s1
InChIKeyBWWFSPNOKSKFGJ-JOCHJYFZSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[(S)-(4-phenylphenyl)methylsulfinyl]methyl]oxane?
The IUPAC name of 4-[[(S)-(4-phenylphenyl)methylsulfinyl]methyl]oxane (CID 97243520) is 4-[[(S)-(4-phenylphenyl)methylsulfinyl]methyl]oxane.
What is the SMILES notation for 4-[[(S)-(4-phenylphenyl)methylsulfinyl]methyl]oxane?
The canonical SMILES for 4-[[(S)-(4-phenylphenyl)methylsulfinyl]methyl]oxane is O=[S@](Cc1ccc(-c2ccccc2)cc1)CC1CCOCC1.
What is the InChIKey of 4-[[(S)-(4-phenylphenyl)methylsulfinyl]methyl]oxane?
The InChIKey is BWWFSPNOKSKFGJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C19H22O2S/c20-22(15-17-10-12-21-13-11-17)14-16-6-8-19(9-7-16)18-4-2-1-3-5-18/h1-9,17H,10-15H2/t22-/m1/s1.
What are the key properties of 4-[[(S)-(4-phenylphenyl)methylsulfinyl]methyl]oxane?
4-[[(S)-(4-phenylphenyl)methylsulfinyl]methyl]oxane has a molecular weight of 314.45 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(S)-(4-phenylphenyl)methylsulfinyl]methyl]oxane is sourced from PubChem (CID 97243520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).