2-methyl-1,3,2-benzodioxabismin-4-one

C8H7BiO3 — CID 161134790

IUPAC2-methyl-1,3,2-benzodioxabismin-4-one
SMILESC[Bi]1OC(=O)c2ccccc2O1
InChIInChI=1S/C7H6O3.CH3.Bi/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);1H3;/q;;+2/p-2
InChIKeyCXWWPFPOSYSGOR-UHFFFAOYSA-L
MW360.12 g/mol
LogP1.35
Rot. Bonds

About 2-methyl-1,3,2-benzodioxabismin-4-one

2-methyl-1,3,2-benzodioxabismin-4-one (PubChem CID 161134790) has the molecular formula C8H7BiO3 and a molecular weight of 360.12 g/mol. Its IUPAC name is 2-methyl-1,3,2-benzodioxabismin-4-one.

Molecular Properties

Compound Name2-methyl-1,3,2-benzodioxabismin-4-one
PubChem CID161134790
Molecular FormulaC8H7BiO3
Molecular Weight360.12 g/mol
Exact Mass360.02
IUPAC Name2-methyl-1,3,2-benzodioxabismin-4-one
SMILESC[Bi]1OC(=O)c2ccccc2O1
InChIInChI=1S/C7H6O3.CH3.Bi/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);1H3;/q;;+2/p-2
InChIKeyCXWWPFPOSYSGOR-UHFFFAOYSA-L
XLogP1.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.12
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,2-benzodioxabismin-4-one?
The IUPAC name of 2-methyl-1,3,2-benzodioxabismin-4-one (CID 161134790) is 2-methyl-1,3,2-benzodioxabismin-4-one.
What is the SMILES notation for 2-methyl-1,3,2-benzodioxabismin-4-one?
The canonical SMILES for 2-methyl-1,3,2-benzodioxabismin-4-one is C[Bi]1OC(=O)c2ccccc2O1.
What is the InChIKey of 2-methyl-1,3,2-benzodioxabismin-4-one?
The InChIKey is CXWWPFPOSYSGOR-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H6O3.CH3.Bi/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);1H3;/q;;+2/p-2.
What are the key properties of 2-methyl-1,3,2-benzodioxabismin-4-one?
2-methyl-1,3,2-benzodioxabismin-4-one has a molecular weight of 360.12 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,2-benzodioxabismin-4-one is sourced from PubChem (CID 161134790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).