2-(furan-2-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one

C20H16O6 — CID 162648250

IUPAC2-(furan-2-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccco3)oc12
InChIInChI=1S/C20H16O6/c1-22-14-6-7-15(23-2)19-18(14)17(24-3)9-11-12(21)10-16(26-20(11)19)13-5-4-8-25-13/h4-10H,1-3H3
InChIKeyBMKHLBYRDLCJKA-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.23
Rot. Bonds4

About 2-(furan-2-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one

2-(furan-2-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one (PubChem CID 162648250) has the molecular formula C20H16O6 and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one
PubChem CID162648250
Molecular FormulaC20H16O6
Molecular Weight352.34 g/mol
Exact Mass352.09
IUPAC Name2-(furan-2-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccco3)oc12
InChIInChI=1S/C20H16O6/c1-22-14-6-7-15(23-2)19-18(14)17(24-3)9-11-12(21)10-16(26-20(11)19)13-5-4-8-25-13/h4-10H,1-3H3
InChIKeyBMKHLBYRDLCJKA-UHFFFAOYSA-N
XLogP4.23
TPSA71.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
The IUPAC name of 2-(furan-2-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one (CID 162648250) is 2-(furan-2-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one.
What is the SMILES notation for 2-(furan-2-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
The canonical SMILES for 2-(furan-2-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one is COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccco3)oc12.
What is the InChIKey of 2-(furan-2-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
The InChIKey is BMKHLBYRDLCJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O6/c1-22-14-6-7-15(23-2)19-18(14)17(24-3)9-11-12(21)10-16(26-20(11)19)13-5-4-8-25-13/h4-10H,1-3H3.
What are the key properties of 2-(furan-2-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
2-(furan-2-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one has a molecular weight of 352.34 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one is sourced from PubChem (CID 162648250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).