3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one;copper

C7H5BrCuO2 — CID 88781371

IUPAC3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one;copper
SMILESO=c1ccccc(Br)c1O.[Cu]
InChIInChI=1S/C7H5BrO2.Cu/c8-5-3-1-2-4-6(9)7(5)10;/h1-4H,(H,9,10);
InChIKeyTXQVIONSQZDVOW-UHFFFAOYSA-N
MW264.56 g/mol
LogP1.51
Rot. Bonds

About 3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one;copper

3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one;copper (PubChem CID 88781371) has the molecular formula C7H5BrCuO2 and a molecular weight of 264.56 g/mol. Its IUPAC name is 3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one;copper.

Molecular Properties

Compound Name3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one;copper
PubChem CID88781371
Molecular FormulaC7H5BrCuO2
Molecular Weight264.56 g/mol
Exact Mass262.88
IUPAC Name3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one;copper
SMILESO=c1ccccc(Br)c1O.[Cu]
InChIInChI=1S/C7H5BrO2.Cu/c8-5-3-1-2-4-6(9)7(5)10;/h1-4H,(H,9,10);
InChIKeyTXQVIONSQZDVOW-UHFFFAOYSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.56
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one;copper with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one;copper?
The IUPAC name of 3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one;copper (CID 88781371) is 3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one;copper.
What is the SMILES notation for 3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one;copper?
The canonical SMILES for 3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one;copper is O=c1ccccc(Br)c1O.[Cu].
What is the InChIKey of 3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one;copper?
The InChIKey is TXQVIONSQZDVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO2.Cu/c8-5-3-1-2-4-6(9)7(5)10;/h1-4H,(H,9,10);.
What are the key properties of 3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one;copper?
3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one;copper has a molecular weight of 264.56 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one;copper is sourced from PubChem (CID 88781371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).