3-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)-4H-chromene

C22H17FO3S — CID 151736627

IUPAC3-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)-4H-chromene
SMILESCS(=O)(=O)c1ccc(C2=C(c3cccc(F)c3)Cc3ccccc3O2)cc1
InChIInChI=1S/C22H17FO3S/c1-27(24,25)19-11-9-15(10-12-19)22-20(16-6-4-7-18(23)13-16)14-17-5-2-3-8-21(17)26-22/h2-13H,14H2,1H3
InChIKeyRLRDBQFFQSMQCS-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.73
Rot. Bonds3

About 3-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)-4H-chromene

3-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)-4H-chromene (PubChem CID 151736627) has the molecular formula C22H17FO3S and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)-4H-chromene.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)-4H-chromene
PubChem CID151736627
Molecular FormulaC22H17FO3S
Molecular Weight380.44 g/mol
Exact Mass380.09
IUPAC Name3-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)-4H-chromene
SMILESCS(=O)(=O)c1ccc(C2=C(c3cccc(F)c3)Cc3ccccc3O2)cc1
InChIInChI=1S/C22H17FO3S/c1-27(24,25)19-11-9-15(10-12-19)22-20(16-6-4-7-18(23)13-16)14-17-5-2-3-8-21(17)26-22/h2-13H,14H2,1H3
InChIKeyRLRDBQFFQSMQCS-UHFFFAOYSA-N
XLogP4.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.73
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

3-(3-methylsulfinylphenyl)-2-(4-methylsulfonylphenyl)-4H-chromene
CID 142639298
3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-4H-chromene
CID 142639563
5-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]-2-(trifluoromethyl)pyridine
CID 70197413
2-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]phenol
CID 142639449
4-[3-(1,3-benzodioxol-5-yl)-4H-chromen-2-yl]benzenesulfonamide
CID 142639479
4-(3-pyridin-3-yl-4H-chromen-2-yl)benzenesulfonamide
CID 152578975
4-[4-(3-fluorophenyl)phenyl]-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 18386002
5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole
CID 67725641
1,3-bis[4-(4-methylsulfonylphenyl)cyclopenta-1,3-dien-1-yl]benzene
CID 158321253
(3-fluorophenyl)-[2-(4-methylsulfonylphenyl)phenyl]methanol
CID 10155201
4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole
CID 91284164
2-benzyl-5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701865

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)-4H-chromene?
The IUPAC name of 3-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)-4H-chromene (CID 151736627) is 3-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)-4H-chromene.
What is the SMILES notation for 3-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)-4H-chromene?
The canonical SMILES for 3-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)-4H-chromene is CS(=O)(=O)c1ccc(C2=C(c3cccc(F)c3)Cc3ccccc3O2)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)-4H-chromene?
The InChIKey is RLRDBQFFQSMQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FO3S/c1-27(24,25)19-11-9-15(10-12-19)22-20(16-6-4-7-18(23)13-16)14-17-5-2-3-8-21(17)26-22/h2-13H,14H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)-4H-chromene?
3-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)-4H-chromene has a molecular weight of 380.44 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)-4H-chromene is sourced from PubChem (CID 151736627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).