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

C20H18O5 — CID 25208435

IUPAC10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol
SMILESCC(C)=CCc1c(O)c(O)cc2c3c(oc12)-c1ccc(O)cc1OC3
InChIInChI=1S/C20H18O5/c1-10(2)3-5-13-18(23)16(22)8-14-15-9-24-17-7-11(21)4-6-12(17)19(15)25-20(13)14/h3-4,6-8,21-23H,5,9H2,1-2H3
InChIKeyFRLCRXOQCLBSAQ-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.62
Rot. Bonds2

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

10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol (PubChem CID 25208435) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol.

Molecular Properties

Compound Name10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol
PubChem CID25208435
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol
SMILESCC(C)=CCc1c(O)c(O)cc2c3c(oc12)-c1ccc(O)cc1OC3
InChIInChI=1S/C20H18O5/c1-10(2)3-5-13-18(23)16(22)8-14-15-9-24-17-7-11(21)4-6-12(17)19(15)25-20(13)14/h3-4,6-8,21-23H,5,9H2,1-2H3
InChIKeyFRLCRXOQCLBSAQ-UHFFFAOYSA-N
XLogP4.62
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.62
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 10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol?
The IUPAC name of 10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol (CID 25208435) is 10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol.
What is the SMILES notation for 10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol?
The canonical SMILES for 10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol is CC(C)=CCc1c(O)c(O)cc2c3c(oc12)-c1ccc(O)cc1OC3.
What is the InChIKey of 10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol?
The InChIKey is FRLCRXOQCLBSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-10(2)3-5-13-18(23)16(22)8-14-15-9-24-17-7-11(21)4-6-12(17)19(15)25-20(13)14/h3-4,6-8,21-23H,5,9H2,1-2H3.
What are the key properties of 10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol?
10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol has a molecular weight of 338.36 g/mol, XLogP of 4.62, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol is sourced from PubChem (CID 25208435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).