8-(2,3-Dimethoxyphenyl)-7,8-dihydro-6,7-dimethyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol

HCID 147208

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Basic information

CAS: 117211-95-7
Standard SMILES: COc1cccc(C2c3cc4c(cc3OC(C)(O)C2C)OCO4)c1OC
InChIKey: SKFWWUNRPBFHQB-UHFFFAOYSA-N
Molecular formula: C20H22O6
Average molar mass: 358.4 g/mol
Monoisotopic mass: 358.14163842

Names & identifiers

Preferred name: 8-(2,3-Dimethoxyphenyl)-7,8-dihydro-6,7-dimethyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol
IUPAC: 8-(2,3-dimethoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol

Names & synonyms

117211-95-7NSC6110758-(2,3-Dimethoxyphenyl)-7,8-dihydro-6,7-dimethyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-olDTXSID00922334NSC-6110756H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 8-(2,3-dimethoxyphenyl)-7,8-dihydro-6,7-dimethyl-8-(2,3-Dimethoxyphenyl)-6,7-dimethyl-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-ol

Database identifiers

CAS: 117211-95-7
PubChem CID: 147208
DTXSID: DTXSID00922334

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 26
Formal charge: 0
Complexity: 501

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