(2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride

C12H15ClO3S — CID 84713972

IUPAC(2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride
SMILESCC1(C)CCc2cc(CS(=O)(=O)Cl)ccc2O1
InChIInChI=1S/C12H15ClO3S/c1-12(2)6-5-10-7-9(8-17(13,14)15)3-4-11(10)16-12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyYKTVWBQWYIWSME-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.86
Rot. Bonds2

About (2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride

(2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride (PubChem CID 84713972) has the molecular formula C12H15ClO3S and a molecular weight of 274.77 g/mol. Its IUPAC name is (2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride
PubChem CID84713972
Molecular FormulaC12H15ClO3S
Molecular Weight274.77 g/mol
Exact Mass274.04
IUPAC Name(2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride
SMILESCC1(C)CCc2cc(CS(=O)(=O)Cl)ccc2O1
InChIInChI=1S/C12H15ClO3S/c1-12(2)6-5-10-7-9(8-17(13,14)15)3-4-11(10)16-12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyYKTVWBQWYIWSME-UHFFFAOYSA-N
XLogP2.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride?
The IUPAC name of (2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride (CID 84713972) is (2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride.
What is the SMILES notation for (2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride?
The canonical SMILES for (2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride is CC1(C)CCc2cc(CS(=O)(=O)Cl)ccc2O1.
What is the InChIKey of (2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride?
The InChIKey is YKTVWBQWYIWSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3S/c1-12(2)6-5-10-7-9(8-17(13,14)15)3-4-11(10)16-12/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of (2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride?
(2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride has a molecular weight of 274.77 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride is sourced from PubChem (CID 84713972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).