bis(1-phenylpropan-2-yl) sulfite

C18H22O3S — CID 3057481

IUPACbis(1-phenylpropan-2-yl) sulfite
SMILESCC(Cc1ccccc1)OS(=O)OC(C)Cc1ccccc1
InChIInChI=1S/C18H22O3S/c1-15(13-17-9-5-3-6-10-17)20-22(19)21-16(2)14-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
InChIKeyGMJVTVQKFCDPIE-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.86
Rot. Bonds8

About bis(1-phenylpropan-2-yl) sulfite

bis(1-phenylpropan-2-yl) sulfite (PubChem CID 3057481) has the molecular formula C18H22O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is bis(1-phenylpropan-2-yl) sulfite.

Molecular Properties

Compound Namebis(1-phenylpropan-2-yl) sulfite
PubChem CID3057481
Molecular FormulaC18H22O3S
Molecular Weight318.44 g/mol
Exact Mass318.13
IUPAC Namebis(1-phenylpropan-2-yl) sulfite
SMILESCC(Cc1ccccc1)OS(=O)OC(C)Cc1ccccc1
InChIInChI=1S/C18H22O3S/c1-15(13-17-9-5-3-6-10-17)20-22(19)21-16(2)14-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
InChIKeyGMJVTVQKFCDPIE-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(1-phenylpropan-2-yl) sulfite?
The IUPAC name of bis(1-phenylpropan-2-yl) sulfite (CID 3057481) is bis(1-phenylpropan-2-yl) sulfite.
What is the SMILES notation for bis(1-phenylpropan-2-yl) sulfite?
The canonical SMILES for bis(1-phenylpropan-2-yl) sulfite is CC(Cc1ccccc1)OS(=O)OC(C)Cc1ccccc1.
What is the InChIKey of bis(1-phenylpropan-2-yl) sulfite?
The InChIKey is GMJVTVQKFCDPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3S/c1-15(13-17-9-5-3-6-10-17)20-22(19)21-16(2)14-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of bis(1-phenylpropan-2-yl) sulfite?
bis(1-phenylpropan-2-yl) sulfite has a molecular weight of 318.44 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-phenylpropan-2-yl) sulfite is sourced from PubChem (CID 3057481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).