1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol

C21H20O5 — CID 15818598

IUPAC1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
SMILESCOc1c(CC=C(C)C)c(O)cc2c1-c1oc3cc(O)ccc3c1CO2
InChIInChI=1S/C21H20O5/c1-11(2)4-6-14-16(23)9-18-19(20(14)24-3)21-15(10-25-18)13-7-5-12(22)8-17(13)26-21/h4-5,7-9,22-23H,6,10H2,1-3H3
InChIKeyAEAIWNGAMDGGNB-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.92
Rot. Bonds3

About 1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol

1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol (PubChem CID 15818598) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol.

Molecular Properties

Compound Name1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
PubChem CID15818598
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Name1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
SMILESCOc1c(CC=C(C)C)c(O)cc2c1-c1oc3cc(O)ccc3c1CO2
InChIInChI=1S/C21H20O5/c1-11(2)4-6-14-16(23)9-18-19(20(14)24-3)21-15(10-25-18)13-7-5-12(22)8-17(13)26-21/h4-5,7-9,22-23H,6,10H2,1-3H3
InChIKeyAEAIWNGAMDGGNB-UHFFFAOYSA-N
XLogP4.92
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol?
The IUPAC name of 1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol (CID 15818598) is 1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol.
What is the SMILES notation for 1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol?
The canonical SMILES for 1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol is COc1c(CC=C(C)C)c(O)cc2c1-c1oc3cc(O)ccc3c1CO2.
What is the InChIKey of 1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol?
The InChIKey is AEAIWNGAMDGGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5/c1-11(2)4-6-14-16(23)9-18-19(20(14)24-3)21-15(10-25-18)13-7-5-12(22)8-17(13)26-21/h4-5,7-9,22-23H,6,10H2,1-3H3.
What are the key properties of 1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol?
1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol has a molecular weight of 352.39 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol is sourced from PubChem (CID 15818598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).