2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyran

C12H12Cl2O3S — CID 56639300

IUPAC2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyran
SMILESCS(=O)(=O)C1=CCCC(c2ccc(Cl)c(Cl)c2)O1
InChIInChI=1S/C12H12Cl2O3S/c1-18(15,16)12-4-2-3-11(17-12)8-5-6-9(13)10(14)7-8/h4-7,11H,2-3H2,1H3
InChIKeyGXFWJKOIHUQRFQ-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.73
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyran

2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyran (PubChem CID 56639300) has the molecular formula C12H12Cl2O3S and a molecular weight of 307.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyran
PubChem CID56639300
Molecular FormulaC12H12Cl2O3S
Molecular Weight307.20 g/mol
Exact Mass305.99
IUPAC Name2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyran
SMILESCS(=O)(=O)C1=CCCC(c2ccc(Cl)c(Cl)c2)O1
InChIInChI=1S/C12H12Cl2O3S/c1-18(15,16)12-4-2-3-11(17-12)8-5-6-9(13)10(14)7-8/h4-7,11H,2-3H2,1H3
InChIKeyGXFWJKOIHUQRFQ-UHFFFAOYSA-N
XLogP3.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyran?
The IUPAC name of 2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyran (CID 56639300) is 2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyran is CS(=O)(=O)C1=CCCC(c2ccc(Cl)c(Cl)c2)O1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyran?
The InChIKey is GXFWJKOIHUQRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O3S/c1-18(15,16)12-4-2-3-11(17-12)8-5-6-9(13)10(14)7-8/h4-7,11H,2-3H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyran?
2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyran has a molecular weight of 307.20 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 56639300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).