2-cyclohexyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan

C19H26O3S — CID 154711566

IUPAC2-cyclohexyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan
SMILESCc1ccc(S(=O)(=O)C2=CC(C)(C)OC2C2CCCCC2)cc1
InChIInChI=1S/C19H26O3S/c1-14-9-11-16(12-10-14)23(20,21)17-13-19(2,3)22-18(17)15-7-5-4-6-8-15/h9-13,15,18H,4-8H2,1-3H3
InChIKeyMZZGJJKFFISVQC-UHFFFAOYSA-N
MW334.48 g/mol
LogP4.41
Rot. Bonds3

About 2-cyclohexyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan

2-cyclohexyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan (PubChem CID 154711566) has the molecular formula C19H26O3S and a molecular weight of 334.48 g/mol. Its IUPAC name is 2-cyclohexyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan.

Molecular Properties

Compound Name2-cyclohexyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan
PubChem CID154711566
Molecular FormulaC19H26O3S
Molecular Weight334.48 g/mol
Exact Mass334.16
IUPAC Name2-cyclohexyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan
SMILESCc1ccc(S(=O)(=O)C2=CC(C)(C)OC2C2CCCCC2)cc1
InChIInChI=1S/C19H26O3S/c1-14-9-11-16(12-10-14)23(20,21)17-13-19(2,3)22-18(17)15-7-5-4-6-8-15/h9-13,15,18H,4-8H2,1-3H3
InChIKeyMZZGJJKFFISVQC-UHFFFAOYSA-N
XLogP4.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(E)-3-phenylmethoxyprop-1-enyl]sulfonylbenzene
CID 101696273
1-Methyl-4-[3-methyl-2-(3-methylbut-2-enoxy)but-2-enyl]sulfonylbenzene
CID 13249890
1-[2-(2-Cyclohexylideneethoxy)-3-methylbut-2-enyl]sulfonyl-4-methylbenzene
CID 13249891
1-[2-Cyclohexylidene-2-(3-methylbut-2-enoxy)ethyl]sulfonyl-4-methylbenzene
CID 13249892
1-[2-(3-Ethylpent-2-enoxy)-3-methylbut-2-enyl]sulfonyl-4-methylbenzene
CID 13842669
1-Methyl-4-[3-methyl-2-(4-methyl-3-propan-2-ylpent-2-enoxy)but-2-enyl]sulfonylbenzene
CID 13842670
1-[2-(Cyclohexen-1-ylmethoxy)-3-methylbut-2-enyl]sulfonyl-4-methylbenzene
CID 13842671
1-[3-Ethyl-2-(3-methylbut-2-enoxy)pent-2-enyl]sulfonyl-4-methylbenzene
CID 13842676
1-(2-Cyclohexylidene-2-prop-2-enoxyethyl)sulfonyl-4-methylbenzene
CID 13842679
4-(4-Methylsulfonylphenyl)-3-phenyl-5h-furan
CID 101000336
3-(3-fluorophenyl)-5,5-dimethyl-2-methylsulfanyl-4-(4-methylsulfonylphenyl)-2H-furan
CID 18788478
5,5,6-Trifluoro-6-(4-methylphenyl)sulfonyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 24785396

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan?
The IUPAC name of 2-cyclohexyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan (CID 154711566) is 2-cyclohexyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan.
What is the SMILES notation for 2-cyclohexyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan?
The canonical SMILES for 2-cyclohexyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan is Cc1ccc(S(=O)(=O)C2=CC(C)(C)OC2C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan?
The InChIKey is MZZGJJKFFISVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O3S/c1-14-9-11-16(12-10-14)23(20,21)17-13-19(2,3)22-18(17)15-7-5-4-6-8-15/h9-13,15,18H,4-8H2,1-3H3.
What are the key properties of 2-cyclohexyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan?
2-cyclohexyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan has a molecular weight of 334.48 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan is sourced from PubChem (CID 154711566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).