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

HCID 147197

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Basic information

CAS: 117211-94-6
Standard SMILES: COc1cccc(C2c3cc4c(cc3OC(C)(OC)C2C)OCO4)c1OC
InChIKey: KIXHRNZFVWKEKY-UHFFFAOYSA-N
Molecular formula: C21H24O6
Average molar mass: 372.4 g/mol
Monoisotopic mass: 372.15728848

Names & identifiers

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

Names & synonyms

117211-94-6NSC6143938-(2,3-Dimethoxyphenyl)-7,8-dihydro-6-methoxy-6,7-dimethyl-6H-1,3-dioxolo(4,5-g)(1)benzopyranDTXSID40922333NSC-6143936H-1,3-Dioxolo(4,5-g)(1)benzopyran, 8-(2,3-dimethoxyphenyl)-7,8-dihydro-6-methoxy-6,7-dimethyl-8-(2,3-Dimethoxyphenyl)-6-methoxy-6,7-dimethyl-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran

Database identifiers

CAS: 117211-94-6
PubChem CID: 147197
DTXSID: DTXSID40922333

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 515

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