3-(4-methylphenyl)sulfonyl-2-propan-2-yl-2,5-dihydrofuran

C14H18O3S — CID 14296297

IUPAC3-(4-methylphenyl)sulfonyl-2-propan-2-yl-2,5-dihydrofuran
SMILESCc1ccc(S(=O)(=O)C2=CCOC2C(C)C)cc1
InChIInChI=1S/C14H18O3S/c1-10(2)14-13(8-9-17-14)18(15,16)12-6-4-11(3)5-7-12/h4-8,10,14H,9H2,1-3H3
InChIKeyRZWFRWAYKVZYDO-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.71
Rot. Bonds3

About 3-(4-methylphenyl)sulfonyl-2-propan-2-yl-2,5-dihydrofuran

3-(4-methylphenyl)sulfonyl-2-propan-2-yl-2,5-dihydrofuran (PubChem CID 14296297) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-2-propan-2-yl-2,5-dihydrofuran.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-2-propan-2-yl-2,5-dihydrofuran
PubChem CID14296297
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name3-(4-methylphenyl)sulfonyl-2-propan-2-yl-2,5-dihydrofuran
SMILESCc1ccc(S(=O)(=O)C2=CCOC2C(C)C)cc1
InChIInChI=1S/C14H18O3S/c1-10(2)14-13(8-9-17-14)18(15,16)12-6-4-11(3)5-7-12/h4-8,10,14H,9H2,1-3H3
InChIKeyRZWFRWAYKVZYDO-UHFFFAOYSA-N
XLogP2.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene
CID 71981822
1-[(E)-3-ethoxy-1-fluoroprop-1-enyl]sulfonyl-4-methylbenzene
CID 101190137
Ethyl 2-(4-methylphenyl)sulfonylprop-2-enoate
CID 10753435
1-(3-Ethoxy-1-fluoropropyl)sulfonyl-4-methylbenzene
CID 121008073
1-(3-Ethoxy-1-fluoro-2-methylsulfanylpropyl)sulfonyl-4-methylbenzene
CID 134876134
[(E)-4-(4-methylphenyl)sulfonylbut-3-en-2-yl] acetate
CID 12690916
1-[(E)-2-[(E)-but-2-enoxy]but-2-enyl]sulfonyl-4-methylbenzene
CID 13146840
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-Cyclohexylidene-2-(2-cyclohexylideneethoxy)ethyl]sulfonyl-4-methylbenzene
CID 13249893
3-[(4-Methylphenyl)sulfinyl]-2(5H)-furanone
CID 13610772

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-2-propan-2-yl-2,5-dihydrofuran?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-2-propan-2-yl-2,5-dihydrofuran (CID 14296297) is 3-(4-methylphenyl)sulfonyl-2-propan-2-yl-2,5-dihydrofuran.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-2-propan-2-yl-2,5-dihydrofuran?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-2-propan-2-yl-2,5-dihydrofuran is Cc1ccc(S(=O)(=O)C2=CCOC2C(C)C)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-2-propan-2-yl-2,5-dihydrofuran?
The InChIKey is RZWFRWAYKVZYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3S/c1-10(2)14-13(8-9-17-14)18(15,16)12-6-4-11(3)5-7-12/h4-8,10,14H,9H2,1-3H3.
What are the key properties of 3-(4-methylphenyl)sulfonyl-2-propan-2-yl-2,5-dihydrofuran?
3-(4-methylphenyl)sulfonyl-2-propan-2-yl-2,5-dihydrofuran has a molecular weight of 266.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-2-propan-2-yl-2,5-dihydrofuran is sourced from PubChem (CID 14296297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).