2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol

C25H26O5 — CID 25208758

IUPAC2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol
SMILESCC(C)=CCc1cc2c(cc1O)OCc1c-2oc2c(CC=C(C)C)c(O)c(O)cc12
InChIInChI=1S/C25H26O5/c1-13(2)5-7-15-9-18-22(11-20(15)26)29-12-19-17-10-21(27)23(28)16(8-6-14(3)4)24(17)30-25(18)19/h5-6,9-11,26-28H,7-8,12H2,1-4H3
InChIKeyLGLLDPCJEPLYCU-UHFFFAOYSA-N
MW406.48 g/mol
LogP6.13
Rot. Bonds4

About 2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol

2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol (PubChem CID 25208758) has the molecular formula C25H26O5 and a molecular weight of 406.48 g/mol. Its IUPAC name is 2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol.

Molecular Properties

Compound Name2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol
PubChem CID25208758
Molecular FormulaC25H26O5
Molecular Weight406.48 g/mol
Exact Mass406.18
IUPAC Name2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol
SMILESCC(C)=CCc1cc2c(cc1O)OCc1c-2oc2c(CC=C(C)C)c(O)c(O)cc12
InChIInChI=1S/C25H26O5/c1-13(2)5-7-15-9-18-22(11-20(15)26)29-12-19-17-10-21(27)23(28)16(8-6-14(3)4)24(17)30-25(18)19/h5-6,9-11,26-28H,7-8,12H2,1-4H3
InChIKeyLGLLDPCJEPLYCU-UHFFFAOYSA-N
XLogP6.13
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 56.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol?
The IUPAC name of 2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol (CID 25208758) is 2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol.
What is the SMILES notation for 2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol?
The canonical SMILES for 2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol is CC(C)=CCc1cc2c(cc1O)OCc1c-2oc2c(CC=C(C)C)c(O)c(O)cc12.
What is the InChIKey of 2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol?
The InChIKey is LGLLDPCJEPLYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O5/c1-13(2)5-7-15-9-18-22(11-20(15)26)29-12-19-17-10-21(27)23(28)16(8-6-14(3)4)24(17)30-25(18)19/h5-6,9-11,26-28H,7-8,12H2,1-4H3.
What are the key properties of 2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol?
2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol has a molecular weight of 406.48 g/mol, XLogP of 6.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol is sourced from PubChem (CID 25208758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).