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

C23H20O4S2 — CID 142639298

IUPAC3-(3-methylsulfinylphenyl)-2-(4-methylsulfonylphenyl)-4H-chromene
SMILESCS(=O)c1cccc(C2=C(c3ccc(S(C)(=O)=O)cc3)Oc3ccccc3C2)c1
InChIInChI=1S/C23H20O4S2/c1-28(24)19-8-5-7-17(14-19)21-15-18-6-3-4-9-22(18)27-23(21)16-10-12-20(13-11-16)29(2,25)26/h3-14H,15H2,1-2H3
InChIKeySLSXEGXRMSWETQ-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.33
Rot. Bonds4

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

3-(3-methylsulfinylphenyl)-2-(4-methylsulfonylphenyl)-4H-chromene (PubChem CID 142639298) has the molecular formula C23H20O4S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 3-(3-methylsulfinylphenyl)-2-(4-methylsulfonylphenyl)-4H-chromene.

Molecular Properties

Compound Name3-(3-methylsulfinylphenyl)-2-(4-methylsulfonylphenyl)-4H-chromene
PubChem CID142639298
Molecular FormulaC23H20O4S2
Molecular Weight424.54 g/mol
Exact Mass424.08
IUPAC Name3-(3-methylsulfinylphenyl)-2-(4-methylsulfonylphenyl)-4H-chromene
SMILESCS(=O)c1cccc(C2=C(c3ccc(S(C)(=O)=O)cc3)Oc3ccccc3C2)c1
InChIInChI=1S/C23H20O4S2/c1-28(24)19-8-5-7-17(14-19)21-15-18-6-3-4-9-22(18)27-23(21)16-10-12-20(13-11-16)29(2,25)26/h3-14H,15H2,1-2H3
InChIKeySLSXEGXRMSWETQ-UHFFFAOYSA-N
XLogP4.33
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)-4H-chromene
CID 151736627
3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-4H-chromene
CID 142639563
2-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]phenol
CID 142639449
5-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]-2-(trifluoromethyl)pyridine
CID 70197413
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-[3-(3,4-dihydro-2H-thiochromen-6-yl)-4H-chromen-2-yl]benzenesulfonamide
CID 142639383
6-(3-methylsulfinylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
CID 118720958
1,3-bis[4-(4-methylsulfonylphenyl)cyclopenta-1,3-dien-1-yl]benzene
CID 158321253
7H-benzo[c]xanthene-5,6-dione
CID 143526903
1-[bromo-(4-methylsulfonylphenyl)methyl]-4-phenylbenzene
CID 22767119
sulfuric acid;9H-xanthene
CID 69337657

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfinylphenyl)-2-(4-methylsulfonylphenyl)-4H-chromene?
The IUPAC name of 3-(3-methylsulfinylphenyl)-2-(4-methylsulfonylphenyl)-4H-chromene (CID 142639298) is 3-(3-methylsulfinylphenyl)-2-(4-methylsulfonylphenyl)-4H-chromene.
What is the SMILES notation for 3-(3-methylsulfinylphenyl)-2-(4-methylsulfonylphenyl)-4H-chromene?
The canonical SMILES for 3-(3-methylsulfinylphenyl)-2-(4-methylsulfonylphenyl)-4H-chromene is CS(=O)c1cccc(C2=C(c3ccc(S(C)(=O)=O)cc3)Oc3ccccc3C2)c1.
What is the InChIKey of 3-(3-methylsulfinylphenyl)-2-(4-methylsulfonylphenyl)-4H-chromene?
The InChIKey is SLSXEGXRMSWETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4S2/c1-28(24)19-8-5-7-17(14-19)21-15-18-6-3-4-9-22(18)27-23(21)16-10-12-20(13-11-16)29(2,25)26/h3-14H,15H2,1-2H3.
What are the key properties of 3-(3-methylsulfinylphenyl)-2-(4-methylsulfonylphenyl)-4H-chromene?
3-(3-methylsulfinylphenyl)-2-(4-methylsulfonylphenyl)-4H-chromene has a molecular weight of 424.54 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfinylphenyl)-2-(4-methylsulfonylphenyl)-4H-chromene is sourced from PubChem (CID 142639298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).