5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(3-hydroxyphenyl)ethyl)-6-(2-(1-pyrrolidinyl)ethoxy)-

HCID 38607

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Basic information

CAS: 40680-99-7
Standard SMILES: COc1c(C(O)CCc2cccc(O)c2)c(OCCN2CCCC2)c(OC)c2occc12
InChIKey: AYHWGRWLMHSBGC-UHFFFAOYSA-N
Molecular formula: C25H31NO6
Average molar mass: 441.5 g/mol
Monoisotopic mass: 441.21513771

Names & identifiers

Preferred name: 5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(3-hydroxyphenyl)ethyl)-6-(2-(1-pyrrolidinyl)ethoxy)-
IUPAC: 3-[3-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol
English name: 4,7-Dimethoxy-α-[2-(3-hydroxyphenyl)ethyl]-6-[2-(1-pyrrolidinyl)ethoxy]-5-benzofuranmethanol
Molecular formula: C25H31NO6
Molecular weight: 441.51674

Names & synonyms

40680-99-7RefChem:3011905-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(3-hydroxyphenyl)ethyl)-6-(2-(1-pyrrolidinyl)ethoxy)-3-(3-{4,7-dimethoxy-6-[2-(pyrrolidin-1-yl)ethoxy]-1-benzofuran-5-yl}-3-hydroxypropyl)phenolDTXSID409610805-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(3-hydroxyphenyl)ethyl)-6- (2-(1-pyrrolidinyl)ethoxy)-4,7-Dimethoxy-α-[2-(3-hydroxyphenyl)ethyl]-6-[2-(1-pyrrolidinyl)ethoxy]-5-benzofuranmethanol

Database identifiers

CAS: 40680-99-7
PubChem CID: 38607
DTXSID: DTXSID40961080
Nikkaji: J76.293H

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 84.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 32
Formal charge: 0
Complexity: 559

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