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

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Related Compounds

3-cyclopropyl-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 157394257
3-cyclopentyl-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 146178995
1-(3-bromo-2-hydroxyphenyl)-2-hydroxyethanone
CID 19913824
2-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)acetic acid
CID 12557642
3-bromo-2-hydroxybenzoic acid
CID 520927
2-bromophenol;propan-2-one
CID 157131819
2-hydroxycyclohepta-2,4,6-trien-1-one;nickel(2+)
CID 23036585
sodium 2-hydroxycyclohepta-2,4,6-trien-1-one
CID 23036587
calcium;hydride;2-hydroxycyclohepta-2,4,6-trien-1-one
CID 173366616
2-hydroxy-3-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one
CID 146178966
bis(2-bromophenol);bis(cyclopenta-1,3-diene);zirconium(2+)
CID 141004794
2-[(1S)-1-amino-2,2-difluoroethyl]-6-bromophenol
CID 131151173

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).