3-(hydroxymethyl)-4,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol

C20H24O8 — CID 91220103

IUPAC3-(hydroxymethyl)-4,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1cc2c(c(OC)c1O)C(CO)C(c1cc(OC)c(OC)c(OC)c1)O2
InChIInChI=1S/C20H24O8/c1-23-13-8-12-16(20(27-5)17(13)22)11(9-21)18(28-12)10-6-14(24-2)19(26-4)15(7-10)25-3/h6-8,11,18,21-22H,9H2,1-5H3
InChIKeyINACKEYIIKMUED-UHFFFAOYSA-N
MW392.40 g/mol
LogP2.64
Rot. Bonds7

About 3-(hydroxymethyl)-4,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol

3-(hydroxymethyl)-4,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 91220103) has the molecular formula C20H24O8 and a molecular weight of 392.40 g/mol. Its IUPAC name is 3-(hydroxymethyl)-4,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-4,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
PubChem CID91220103
Molecular FormulaC20H24O8
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC Name3-(hydroxymethyl)-4,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1cc2c(c(OC)c1O)C(CO)C(c1cc(OC)c(OC)c(OC)c1)O2
InChIInChI=1S/C20H24O8/c1-23-13-8-12-16(20(27-5)17(13)22)11(9-21)18(28-12)10-6-14(24-2)19(26-4)15(7-10)25-3/h6-8,11,18,21-22H,9H2,1-5H3
InChIKeyINACKEYIIKMUED-UHFFFAOYSA-N
XLogP2.64
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(hydroxymethyl)-4,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol with MolForge

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Related Compounds

4-[(3S,3aR,6S,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol
CID 44555396
4-[(2R,3S)-3-(hydroxymethyl)-7-methoxy-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenol
CID 162899313
(2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
CID 101248074
(2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol
CID 163037517
(E)-3-[(2R,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
CID 127037425
3-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid
CID 162953889
4-[(2S,3R)-5-bromo-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
CID 162673565
4-[3-(hydroxymethyl)-5-methoxy-7-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-2-yl]-2,6-dimethoxyphenol
CID 91164341
(2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
CID 11482661
[(2R,3S)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methanol
CID 101241547
methyl 6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydronaphthalene-2-carboxylate
CID 162877683
[(2S,3S,4S)-5,7-dimethoxy-4-(2,4,6-trimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 10531369

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-4,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 3-(hydroxymethyl)-4,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol (CID 91220103) is 3-(hydroxymethyl)-4,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 3-(hydroxymethyl)-4,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 3-(hydroxymethyl)-4,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol is COc1cc2c(c(OC)c1O)C(CO)C(c1cc(OC)c(OC)c(OC)c1)O2.
What is the InChIKey of 3-(hydroxymethyl)-4,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is INACKEYIIKMUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O8/c1-23-13-8-12-16(20(27-5)17(13)22)11(9-21)18(28-12)10-6-14(24-2)19(26-4)15(7-10)25-3/h6-8,11,18,21-22H,9H2,1-5H3.
What are the key properties of 3-(hydroxymethyl)-4,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol?
3-(hydroxymethyl)-4,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 392.40 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-4,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 91220103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).