3-(3,4-dimethylphenyl)sulfonyl-2H-chromene

C17H16O3S — CID 138663606

IUPAC3-(3,4-dimethylphenyl)sulfonyl-2H-chromene
SMILESCc1ccc(S(=O)(=O)C2=Cc3ccccc3OC2)cc1C
InChIInChI=1S/C17H16O3S/c1-12-7-8-15(9-13(12)2)21(18,19)16-10-14-5-3-4-6-17(14)20-11-16/h3-10H,11H2,1-2H3
InChIKeyLXWKDSIYCAAQSK-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.51
Rot. Bonds2

About 3-(3,4-dimethylphenyl)sulfonyl-2H-chromene

3-(3,4-dimethylphenyl)sulfonyl-2H-chromene (PubChem CID 138663606) has the molecular formula C17H16O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfonyl-2H-chromene.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfonyl-2H-chromene
PubChem CID138663606
Molecular FormulaC17H16O3S
Molecular Weight300.38 g/mol
Exact Mass300.08
IUPAC Name3-(3,4-dimethylphenyl)sulfonyl-2H-chromene
SMILESCc1ccc(S(=O)(=O)C2=Cc3ccccc3OC2)cc1C
InChIInChI=1S/C17H16O3S/c1-12-7-8-15(9-13(12)2)21(18,19)16-10-14-5-3-4-6-17(14)20-11-16/h3-10H,11H2,1-2H3
InChIKeyLXWKDSIYCAAQSK-UHFFFAOYSA-N
XLogP3.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)sulfonyl-2H-chromene?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfonyl-2H-chromene (CID 138663606) is 3-(3,4-dimethylphenyl)sulfonyl-2H-chromene.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfonyl-2H-chromene?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfonyl-2H-chromene is Cc1ccc(S(=O)(=O)C2=Cc3ccccc3OC2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfonyl-2H-chromene?
The InChIKey is LXWKDSIYCAAQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3S/c1-12-7-8-15(9-13(12)2)21(18,19)16-10-14-5-3-4-6-17(14)20-11-16/h3-10H,11H2,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)sulfonyl-2H-chromene?
3-(3,4-dimethylphenyl)sulfonyl-2H-chromene has a molecular weight of 300.38 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfonyl-2H-chromene is sourced from PubChem (CID 138663606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).