4-bromo-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one

C12H9BrO4 — CID 121001076

IUPAC4-bromo-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one
SMILESCOc1c2c(c(Br)c3ccc(=O)oc13)CCO2
InChIInChI=1S/C12H9BrO4/c1-15-12-10-7(4-5-16-10)9(13)6-2-3-8(14)17-11(6)12/h2-3H,4-5H2,1H3
InChIKeyXMWXNCIMFVXRPF-UHFFFAOYSA-N
MW297.10 g/mol
LogP2.50
Rot. Bonds1

About 4-bromo-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one

4-bromo-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one (PubChem CID 121001076) has the molecular formula C12H9BrO4 and a molecular weight of 297.10 g/mol. Its IUPAC name is 4-bromo-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4-bromo-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one
PubChem CID121001076
Molecular FormulaC12H9BrO4
Molecular Weight297.10 g/mol
Exact Mass295.97
IUPAC Name4-bromo-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one
SMILESCOc1c2c(c(Br)c3ccc(=O)oc13)CCO2
InChIInChI=1S/C12H9BrO4/c1-15-12-10-7(4-5-16-10)9(13)6-2-3-8(14)17-11(6)12/h2-3H,4-5H2,1H3
InChIKeyXMWXNCIMFVXRPF-UHFFFAOYSA-N
XLogP2.50
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one?
The IUPAC name of 4-bromo-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one (CID 121001076) is 4-bromo-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one.
What is the SMILES notation for 4-bromo-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one?
The canonical SMILES for 4-bromo-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one is COc1c2c(c(Br)c3ccc(=O)oc13)CCO2.
What is the InChIKey of 4-bromo-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one?
The InChIKey is XMWXNCIMFVXRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO4/c1-15-12-10-7(4-5-16-10)9(13)6-2-3-8(14)17-11(6)12/h2-3H,4-5H2,1H3.
What are the key properties of 4-bromo-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one?
4-bromo-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one has a molecular weight of 297.10 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one is sourced from PubChem (CID 121001076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).