3-(4-methylsulfonylphenyl)-4-phenyl-2,3-dihydrofuran

C17H16O3S — CID 90914940

IUPAC3-(4-methylsulfonylphenyl)-4-phenyl-2,3-dihydrofuran
SMILESCS(=O)(=O)c1ccc(C2COC=C2c2ccccc2)cc1
InChIInChI=1S/C17H16O3S/c1-21(18,19)15-9-7-14(8-10-15)17-12-20-11-16(17)13-5-3-2-4-6-13/h2-11,17H,12H2,1H3
InChIKeyZNOLDHSGVMDXRY-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.24
Rot. Bonds3

About 3-(4-methylsulfonylphenyl)-4-phenyl-2,3-dihydrofuran

3-(4-methylsulfonylphenyl)-4-phenyl-2,3-dihydrofuran (PubChem CID 90914940) has the molecular formula C17H16O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-4-phenyl-2,3-dihydrofuran.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-4-phenyl-2,3-dihydrofuran
PubChem CID90914940
Molecular FormulaC17H16O3S
Molecular Weight300.38 g/mol
Exact Mass300.08
IUPAC Name3-(4-methylsulfonylphenyl)-4-phenyl-2,3-dihydrofuran
SMILESCS(=O)(=O)c1ccc(C2COC=C2c2ccccc2)cc1
InChIInChI=1S/C17H16O3S/c1-21(18,19)15-9-7-14(8-10-15)17-12-20-11-16(17)13-5-3-2-4-6-13/h2-11,17H,12H2,1H3
InChIKeyZNOLDHSGVMDXRY-UHFFFAOYSA-N
XLogP3.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methoxymethyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 10405126
O-ethyl 2-(4-phenylphenyl)sulfonylethanethioate
CID 25215941
Phenethyl tosylate
CID 20522
Benzenepropanol, gamma-phenyl-, 1-(4-methylbenzenesulfonate)
CID 22225869
5-(4-Methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol
CID 155552943
4-(4-methylsulfonylphenyl)-3-phenyl-3H-furan-2-one
CID 69758595
4-(4-Methanesulfonyl-phenyl)-3-phenyl-5H-[1,2]oxathiole 2-oxide
CID 11450459
2-(4-Methylphenyl)ethyl 4-methylbenzenesulfonate
CID 285386
(R)-3-fluoro-3-phenyl-8-tosyloctan-1-ol
CID 138375715
(3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane
CID 162398286
2-Phenylprop-2-enyl 4-methylbenzenesulfonate
CID 12183926
Neophyl tosylate
CID 12759821

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-4-phenyl-2,3-dihydrofuran?
The IUPAC name of 3-(4-methylsulfonylphenyl)-4-phenyl-2,3-dihydrofuran (CID 90914940) is 3-(4-methylsulfonylphenyl)-4-phenyl-2,3-dihydrofuran.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-4-phenyl-2,3-dihydrofuran?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-4-phenyl-2,3-dihydrofuran is CS(=O)(=O)c1ccc(C2COC=C2c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-4-phenyl-2,3-dihydrofuran?
The InChIKey is ZNOLDHSGVMDXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3S/c1-21(18,19)15-9-7-14(8-10-15)17-12-20-11-16(17)13-5-3-2-4-6-13/h2-11,17H,12H2,1H3.
What are the key properties of 3-(4-methylsulfonylphenyl)-4-phenyl-2,3-dihydrofuran?
3-(4-methylsulfonylphenyl)-4-phenyl-2,3-dihydrofuran has a molecular weight of 300.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-4-phenyl-2,3-dihydrofuran is sourced from PubChem (CID 90914940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).