lithium 2-bromo-1-naphthalen-1-ylethanone

C12H8BrLiO — CID 10015209

IUPAClithium 2-bromo-1-naphthalen-1-ylethanone
SMILESO=C([CH-]Br)c1cccc2ccccc12.[Li+]
InChIInChI=1S/C12H8BrO.Li/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11;/h1-8H;/q-1;+1
InChIKeyMAYWJJZROWGNRU-UHFFFAOYSA-N
MW255.04 g/mol
LogP0.58
Rot. Bonds2

About lithium 2-bromo-1-naphthalen-1-ylethanone

lithium 2-bromo-1-naphthalen-1-ylethanone (PubChem CID 10015209) has the molecular formula C12H8BrLiO and a molecular weight of 255.04 g/mol. Its IUPAC name is lithium 2-bromo-1-naphthalen-1-ylethanone.

Molecular Properties

Compound Namelithium 2-bromo-1-naphthalen-1-ylethanone
PubChem CID10015209
Molecular FormulaC12H8BrLiO
Molecular Weight255.04 g/mol
Exact Mass253.99
IUPAC Namelithium 2-bromo-1-naphthalen-1-ylethanone
SMILESO=C([CH-]Br)c1cccc2ccccc12.[Li+]
InChIInChI=1S/C12H8BrO.Li/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11;/h1-8H;/q-1;+1
InChIKeyMAYWJJZROWGNRU-UHFFFAOYSA-N
XLogP0.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.04
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
naphthalene-1-carbonyl iodide
CID 87393513
bromo naphthalene-1-carboxylate
CID 68796403
sodium naphthalene-1-carbothioate
CID 134872711
CID 129133768
CID 129133768
2,2-dibromo-2-fluoro-1-naphthalen-1-ylethanone
CID 175439147
2-naphthalen-1-yl-2-oxoethane-1,1-disulfonic acid
CID 87145288
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 19872190
methane;naphthalen-1-yl(phenyl)methanone;sulfuric acid
CID 70453659

Frequently Asked Questions

What is the IUPAC name of lithium 2-bromo-1-naphthalen-1-ylethanone?
The IUPAC name of lithium 2-bromo-1-naphthalen-1-ylethanone (CID 10015209) is lithium 2-bromo-1-naphthalen-1-ylethanone.
What is the SMILES notation for lithium 2-bromo-1-naphthalen-1-ylethanone?
The canonical SMILES for lithium 2-bromo-1-naphthalen-1-ylethanone is O=C([CH-]Br)c1cccc2ccccc12.[Li+].
What is the InChIKey of lithium 2-bromo-1-naphthalen-1-ylethanone?
The InChIKey is MAYWJJZROWGNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrO.Li/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11;/h1-8H;/q-1;+1.
What are the key properties of lithium 2-bromo-1-naphthalen-1-ylethanone?
lithium 2-bromo-1-naphthalen-1-ylethanone has a molecular weight of 255.04 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-bromo-1-naphthalen-1-ylethanone is sourced from PubChem (CID 10015209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).