2,2-dimethyl-6-methylsulfonylchromene

C12H14O3S — CID 14210386

IUPAC2,2-dimethyl-6-methylsulfonylchromene
SMILESCC1(C)C=Cc2cc(S(C)(=O)=O)ccc2O1
InChIInChI=1S/C12H14O3S/c1-12(2)7-6-9-8-10(16(3,13)14)4-5-11(9)15-12/h4-8H,1-3H3
InChIKeyFWVGRHHHPBDHMZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.27
Rot. Bonds1

About 2,2-dimethyl-6-methylsulfonylchromene

2,2-dimethyl-6-methylsulfonylchromene (PubChem CID 14210386) has the molecular formula C12H14O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2,2-dimethyl-6-methylsulfonylchromene.

Molecular Properties

Compound Name2,2-dimethyl-6-methylsulfonylchromene
PubChem CID14210386
Molecular FormulaC12H14O3S
Molecular Weight238.31 g/mol
Exact Mass238.07
IUPAC Name2,2-dimethyl-6-methylsulfonylchromene
SMILESCC1(C)C=Cc2cc(S(C)(=O)=O)ccc2O1
InChIInChI=1S/C12H14O3S/c1-12(2)7-6-9-8-10(16(3,13)14)4-5-11(9)15-12/h4-8H,1-3H3
InChIKeyFWVGRHHHPBDHMZ-UHFFFAOYSA-N
XLogP2.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-methylsulfonylchromene?
The IUPAC name of 2,2-dimethyl-6-methylsulfonylchromene (CID 14210386) is 2,2-dimethyl-6-methylsulfonylchromene.
What is the SMILES notation for 2,2-dimethyl-6-methylsulfonylchromene?
The canonical SMILES for 2,2-dimethyl-6-methylsulfonylchromene is CC1(C)C=Cc2cc(S(C)(=O)=O)ccc2O1.
What is the InChIKey of 2,2-dimethyl-6-methylsulfonylchromene?
The InChIKey is FWVGRHHHPBDHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3S/c1-12(2)7-6-9-8-10(16(3,13)14)4-5-11(9)15-12/h4-8H,1-3H3.
What are the key properties of 2,2-dimethyl-6-methylsulfonylchromene?
2,2-dimethyl-6-methylsulfonylchromene has a molecular weight of 238.31 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-methylsulfonylchromene is sourced from PubChem (CID 14210386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).