3-(4-methylsulfonylphenyl)-4-phenyl-2,5-dihydrofuran

C17H16O3S — CID 101000336

IUPAC3-(4-methylsulfonylphenyl)-4-phenyl-2,5-dihydrofuran
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccccc3)COC2)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/h2-10H,11-12H2,1H3
InChIKeyZKFOTVQFSMRKNU-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.03
Rot. Bonds3

About 3-(4-methylsulfonylphenyl)-4-phenyl-2,5-dihydrofuran

3-(4-methylsulfonylphenyl)-4-phenyl-2,5-dihydrofuran (PubChem CID 101000336) has the molecular formula C17H16O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-4-phenyl-2,5-dihydrofuran.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-4-phenyl-2,5-dihydrofuran
PubChem CID101000336
Molecular FormulaC17H16O3S
Molecular Weight300.38 g/mol
Exact Mass300.08
IUPAC Name3-(4-methylsulfonylphenyl)-4-phenyl-2,5-dihydrofuran
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccccc3)COC2)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/h2-10H,11-12H2,1H3
InChIKeyZKFOTVQFSMRKNU-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

Rofecoxib
CID 5090
Benzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 891523
4-(4-Methanesulfonyl-phenyl)-5,5-dimethyl-3-phenylsulfanyl-5H-furan-2-one
CID 10199429
3-(4-(111C)methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
CID 59738823
4-(Isopropylsulfonyl)benzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 1300413
3-Methoxy-3-(4-methylsulfonylphenyl)-1,2-dioxaspiro[5.5]undec-4-ene
CID 10520987
3-(4-methylsulfinylphenyl)-4-phenyl-2H-furan-5-one
CID 9948196
1-Methoxymethyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 10405126
1-[2-(4-Hydroxymethylphenyl)cyclopenten-1-yl]-4-(methylsulfonyl)benzene
CID 10426661
4-[4-(methylsulfinyl)phenyl]-3-phenylfuran-2-(5H)-one
CID 44411662
3-[4-[(S)-methylsulfinyl]phenyl]-4-phenyl-2H-furan-5-one
CID 67288784
Phenethyl tosylate
CID 20522

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-4-phenyl-2,5-dihydrofuran?
The IUPAC name of 3-(4-methylsulfonylphenyl)-4-phenyl-2,5-dihydrofuran (CID 101000336) is 3-(4-methylsulfonylphenyl)-4-phenyl-2,5-dihydrofuran.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-4-phenyl-2,5-dihydrofuran?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-4-phenyl-2,5-dihydrofuran is CS(=O)(=O)c1ccc(C2=C(c3ccccc3)COC2)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-4-phenyl-2,5-dihydrofuran?
The InChIKey is ZKFOTVQFSMRKNU-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/h2-10H,11-12H2,1H3.
What are the key properties of 3-(4-methylsulfonylphenyl)-4-phenyl-2,5-dihydrofuran?
3-(4-methylsulfonylphenyl)-4-phenyl-2,5-dihydrofuran has a molecular weight of 300.38 g/mol, XLogP of 3.03, 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-2,5-dihydrofuran is sourced from PubChem (CID 101000336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).