3-(1,3-Benzodioxol-5-ylmethyl)-5-(hydroxymethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one

HCID 433490

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Basic information

CAS: 72627-52-2
Standard SMILES: COc1cc(CC2C(CO)OC(=O)C2Cc2ccc3c(c2)OCO3)cc(OC)c1OC
InChIKey: RMMSTHBAYSHPFH-UHFFFAOYSA-N
Molecular formula: C23H26O8
Average molar mass: 430.4 g/mol
Monoisotopic mass: 430.16276778

Names & identifiers

Preferred name: 3-(1,3-Benzodioxol-5-ylmethyl)-5-(hydroxymethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-5-(hydroxymethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one

Names & synonyms

72627-52-2NSC3320503-(1,3-benzodioxol-5-ylmethyl)-5-(hydroxymethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-oneDTXSID10330906NSC-3320503-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-5-(HYDROXYMETHYL)-4-[(3,4,5-TRIMETHOXYPHENYL)METHYL]OXOLAN-2-ONE

Database identifiers

CAS: 72627-52-2
PubChem CID: 433490
DTXSID: DTXSID10330906

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 92.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 31
Formal charge: 0
Complexity: 586

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