4-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one

C20H20O6S — CID 142642921

IUPAC4-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
SMILESCOc1cc(O)ccc1C1=C(c2ccc(S(C)(=O)=O)cc2)OC(C)(C)C1=O
InChIInChI=1S/C20H20O6S/c1-20(2)19(22)17(15-10-7-13(21)11-16(15)25-3)18(26-20)12-5-8-14(9-6-12)27(4,23)24/h5-11,21H,1-4H3
InChIKeyCHCISLOZYOMVIF-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.05
Rot. Bonds4

About 4-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one

4-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one (PubChem CID 142642921) has the molecular formula C20H20O6S and a molecular weight of 388.44 g/mol. Its IUPAC name is 4-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one.

Molecular Properties

Compound Name4-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
PubChem CID142642921
Molecular FormulaC20H20O6S
Molecular Weight388.44 g/mol
Exact Mass388.10
IUPAC Name4-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
SMILESCOc1cc(O)ccc1C1=C(c2ccc(S(C)(=O)=O)cc2)OC(C)(C)C1=O
InChIInChI=1S/C20H20O6S/c1-20(2)19(22)17(15-10-7-13(21)11-16(15)25-3)18(26-20)12-5-8-14(9-6-12)27(4,23)24/h5-11,21H,1-4H3
InChIKeyCHCISLOZYOMVIF-UHFFFAOYSA-N
XLogP3.05
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxyphenyl)-2,2-dimethyl-5-(4-(methylsulfonyl)phenyl)furan-3(2H)-one
CID 11314765
2-Ethyl-4-(3-methoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 11406538
4-(2-methoxyphenyl)-2,2-dimethyl-5-(4-(methylsulfonyl)phenyl)furan-3(2H)-one
CID 18385794
2,2-Diethyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)furan-3-one
CID 18385595
2,2-dimethyl-4-(4-hydroxyphenyl)-5-{4-(methylsulfonyl)phenyl}-3(2H)-furanone
CID 18385817
4-(3-Fluoro-4-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 18385849
4-[3-(2,4-Dimethoxyphenyl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide
CID 18386106
4-(2-Hydroxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 18386151
2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)-
CID 6440299
2,2-dimethyl-5-{4-(methylsulfonyl)phenyl}-4-{4-(trifluoromethoxy)phenyl}-3(2H)-furanone
CID 18385647
2-Ethyl-4-(3-fluoro-4-methoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 18385720
2-Ethyl-2-methyl-5-(4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]furan-3-one
CID 18385840

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one?
The IUPAC name of 4-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one (CID 142642921) is 4-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one.
What is the SMILES notation for 4-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one?
The canonical SMILES for 4-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one is COc1cc(O)ccc1C1=C(c2ccc(S(C)(=O)=O)cc2)OC(C)(C)C1=O.
What is the InChIKey of 4-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one?
The InChIKey is CHCISLOZYOMVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O6S/c1-20(2)19(22)17(15-10-7-13(21)11-16(15)25-3)18(26-20)12-5-8-14(9-6-12)27(4,23)24/h5-11,21H,1-4H3.
What are the key properties of 4-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one?
4-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one has a molecular weight of 388.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one is sourced from PubChem (CID 142642921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).