3-(4-chlorophenyl)-6-methyl-2-(4-methylsulfonylphenyl)-2H-pyran

C19H17ClO3S — CID 67011858

IUPAC3-(4-chlorophenyl)-6-methyl-2-(4-methylsulfonylphenyl)-2H-pyran
SMILESCC1=CC=C(c2ccc(Cl)cc2)C(c2ccc(S(C)(=O)=O)cc2)O1
InChIInChI=1S/C19H17ClO3S/c1-13-3-12-18(14-4-8-16(20)9-5-14)19(23-13)15-6-10-17(11-7-15)24(2,21)22/h3-12,19H,1-2H3
InChIKeyRFWLUVDOSQNIEU-UHFFFAOYSA-N
MW360.86 g/mol
LogP4.80
Rot. Bonds3

About 3-(4-chlorophenyl)-6-methyl-2-(4-methylsulfonylphenyl)-2H-pyran

3-(4-chlorophenyl)-6-methyl-2-(4-methylsulfonylphenyl)-2H-pyran (PubChem CID 67011858) has the molecular formula C19H17ClO3S and a molecular weight of 360.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-methyl-2-(4-methylsulfonylphenyl)-2H-pyran.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-methyl-2-(4-methylsulfonylphenyl)-2H-pyran
PubChem CID67011858
Molecular FormulaC19H17ClO3S
Molecular Weight360.86 g/mol
Exact Mass360.06
IUPAC Name3-(4-chlorophenyl)-6-methyl-2-(4-methylsulfonylphenyl)-2H-pyran
SMILESCC1=CC=C(c2ccc(Cl)cc2)C(c2ccc(S(C)(=O)=O)cc2)O1
InChIInChI=1S/C19H17ClO3S/c1-13-3-12-18(14-4-8-16(20)9-5-14)19(23-13)15-6-10-17(11-7-15)24(2,21)22/h3-12,19H,1-2H3
InChIKeyRFWLUVDOSQNIEU-UHFFFAOYSA-N
XLogP4.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-methylphenyl)-6-methyl-2-(4-methylsulfonylphenyl)-2H-pyran
CID 154455309
1-[2-(4-chlorophenyl)-4,4-dimethylcyclopenten-1-yl]-4-methylsulfonylbenzene
CID 10155469
(4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium
CID 58963853
1-chloro-4-methylbenzene;1-methylsulfonyl-4-(2,4,4-trimethylcyclopenten-1-yl)benzene
CID 142970865
4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one
CID 22148956
2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene
CID 70265699
4-(4-chlorophenyl)-1-ethyl-2-methyl-3-(4-methylsulfonylphenyl)-3H-pyrazole-5-carboxylic acid
CID 70294684
2-(4-chlorophenyl)-N-(4-methylsulfonylphenyl)oxolan-3-amine
CID 133452436
dichloromethane;1-methyl-4-methylsulfonylbenzene
CID 175095378
[3-(4-chlorophenyl)-1-(hydroxymethyl)-4-(4-methylsulfonylphenyl)cyclopenta-2,4-dien-1-yl]methanol
CID 23370312
(3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine
CID 12598044
1-[3-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-3,4-dihydropyrazol-2-yl]ethanethione
CID 50925502

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-methyl-2-(4-methylsulfonylphenyl)-2H-pyran?
The IUPAC name of 3-(4-chlorophenyl)-6-methyl-2-(4-methylsulfonylphenyl)-2H-pyran (CID 67011858) is 3-(4-chlorophenyl)-6-methyl-2-(4-methylsulfonylphenyl)-2H-pyran.
What is the SMILES notation for 3-(4-chlorophenyl)-6-methyl-2-(4-methylsulfonylphenyl)-2H-pyran?
The canonical SMILES for 3-(4-chlorophenyl)-6-methyl-2-(4-methylsulfonylphenyl)-2H-pyran is CC1=CC=C(c2ccc(Cl)cc2)C(c2ccc(S(C)(=O)=O)cc2)O1.
What is the InChIKey of 3-(4-chlorophenyl)-6-methyl-2-(4-methylsulfonylphenyl)-2H-pyran?
The InChIKey is RFWLUVDOSQNIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClO3S/c1-13-3-12-18(14-4-8-16(20)9-5-14)19(23-13)15-6-10-17(11-7-15)24(2,21)22/h3-12,19H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-6-methyl-2-(4-methylsulfonylphenyl)-2H-pyran?
3-(4-chlorophenyl)-6-methyl-2-(4-methylsulfonylphenyl)-2H-pyran has a molecular weight of 360.86 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-methyl-2-(4-methylsulfonylphenyl)-2H-pyran is sourced from PubChem (CID 67011858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).