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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Related Compounds

(3,3-dimethyl-5-methylsulfonylspiro[1H-indole-2,2'-chromene]-6'-yl)-(4-fluorophenyl)methanone
CID 165164631
(1R,2S)-1-(2,2-dimethylchromen-6-yl)propane-1,2-diol
CID 146682719
(E)-3-(2,2-dimethylchromen-6-yl)prop-2-enoic acid
CID 10513634
2,2-dimethylbenzo[g]chromene
CID 1218933
6-(benzenesulfonyl)-2-(dimethoxymethyl)-2-methylchromene
CID 19742847
1'-tert-butyl-6-(4-methylsulfonylphenyl)spiro[chromene-2,4'-piperidine]
CID 172826775
2,2,7-trimethylchromene
CID 12934382
(2,2-dimethylchromen-6-yl) 3-methylbutanoate
CID 174537350
2,2-dimethylpyrano[3,2-c]pyridine
CID 14117126
N-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride
CID 46918543
N-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide
CID 118199582
(E)-1-(2,2-dimethylchromen-6-yl)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-en-1-one
CID 71213140

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).