2-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]phenol

C22H18O4S — CID 142639449

IUPAC2-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]phenol
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccccc3O)Cc3ccccc3O2)cc1
InChIInChI=1S/C22H18O4S/c1-27(24,25)17-12-10-15(11-13-17)22-19(18-7-3-4-8-20(18)23)14-16-6-2-5-9-21(16)26-22/h2-13,23H,14H2,1H3
InChIKeyGXSNPKQTPMTTOR-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.30
Rot. Bonds3

About 2-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]phenol

2-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]phenol (PubChem CID 142639449) has the molecular formula C22H18O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]phenol.

Molecular Properties

Compound Name2-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]phenol
PubChem CID142639449
Molecular FormulaC22H18O4S
Molecular Weight378.45 g/mol
Exact Mass378.09
IUPAC Name2-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]phenol
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccccc3O)Cc3ccccc3O2)cc1
InChIInChI=1S/C22H18O4S/c1-27(24,25)17-12-10-15(11-13-17)22-19(18-7-3-4-8-20(18)23)14-16-6-2-5-9-21(16)26-22/h2-13,23H,14H2,1H3
InChIKeyGXSNPKQTPMTTOR-UHFFFAOYSA-N
XLogP4.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-4H-chromene
CID 142639563
3-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)-4H-chromene
CID 151736627
5-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]-2-(trifluoromethyl)pyridine
CID 70197413
3-(3-methylsulfinylphenyl)-2-(4-methylsulfonylphenyl)-4H-chromene
CID 142639298
4-(3-pyridin-3-yl-4H-chromen-2-yl)benzenesulfonamide
CID 152578975
4-[3-(1,3-benzodioxol-5-yl)-4H-chromen-2-yl]benzenesulfonamide
CID 142639479
4-[3-(4-methoxy-3-propylphenyl)-4H-chromen-2-yl]benzenesulfonamide
CID 142639580
7H-benzo[c]xanthene-5,6-dione
CID 143526903
4-[3-(3,4-dihydro-2H-thiochromen-6-yl)-4H-chromen-2-yl]benzenesulfonamide
CID 142639383
sulfuric acid;9H-xanthene
CID 69337657
biphenylene;9H-xanthene
CID 69049558
3-methylsulfonyl-9H-fluorene
CID 59984556

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]phenol?
The IUPAC name of 2-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]phenol (CID 142639449) is 2-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]phenol.
What is the SMILES notation for 2-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]phenol?
The canonical SMILES for 2-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]phenol is CS(=O)(=O)c1ccc(C2=C(c3ccccc3O)Cc3ccccc3O2)cc1.
What is the InChIKey of 2-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]phenol?
The InChIKey is GXSNPKQTPMTTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4S/c1-27(24,25)17-12-10-15(11-13-17)22-19(18-7-3-4-8-20(18)23)14-16-6-2-5-9-21(16)26-22/h2-13,23H,14H2,1H3.
What are the key properties of 2-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]phenol?
2-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]phenol has a molecular weight of 378.45 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]phenol is sourced from PubChem (CID 142639449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).