magnesium;cyclopropyl(phenyl)methanolate;bromide

C10H11BrMgO — CID 165347290

IUPACmagnesium;cyclopropyl(phenyl)methanolate;bromide
SMILES[Br-].[Mg+2].[O-]C(c1ccccc1)C1CC1
InChIInChI=1S/C10H11O.BrH.Mg/c11-10(9-6-7-9)8-4-2-1-3-5-8;;/h1-5,9-10H,6-7H2;1H;/q-1;;+2/p-1
InChIKeyLTUDBQYZKOTIRG-UHFFFAOYSA-M
MW251.41 g/mol
LogP-1.88
Rot. Bonds2

About magnesium;cyclopropyl(phenyl)methanolate;bromide

magnesium;cyclopropyl(phenyl)methanolate;bromide (PubChem CID 165347290) has the molecular formula C10H11BrMgO and a molecular weight of 251.41 g/mol. Its IUPAC name is magnesium;cyclopropyl(phenyl)methanolate;bromide.

Molecular Properties

Compound Namemagnesium;cyclopropyl(phenyl)methanolate;bromide
PubChem CID165347290
Molecular FormulaC10H11BrMgO
Molecular Weight251.41 g/mol
Exact Mass249.98
IUPAC Namemagnesium;cyclopropyl(phenyl)methanolate;bromide
SMILES[Br-].[Mg+2].[O-]C(c1ccccc1)C1CC1
InChIInChI=1S/C10H11O.BrH.Mg/c11-10(9-6-7-9)8-4-2-1-3-5-8;;/h1-5,9-10H,6-7H2;1H;/q-1;;+2/p-1
InChIKeyLTUDBQYZKOTIRG-UHFFFAOYSA-M
XLogP-1.88
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 5-1.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene
CID 126511399
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
diphenylmethanolate
CID 57466266
[cyclopropyl(phenyl)methyl]hydrazine
CID 53403097
(2-bromo-1-cyclopropylethyl)benzene
CID 57168506
2-amino-1-cyclopropyl-2-phenylethanol
CID 62720038
O-[cyclopropyl(phenyl)methyl]hydroxylamine;hydrochloride
CID 127038891
1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene
CID 169434588
2-cyclopropyl-2-phenylethanamine;hydrochloride
CID 57365234
(2-bromo-1-cyclopropylpropyl)benzene
CID 66470259
sodium diphenylmethanolate
CID 22420719
3-cyclopropyl-3-phenylpropan-1-ol
CID 19754835

Frequently Asked Questions

What is the IUPAC name of magnesium;cyclopropyl(phenyl)methanolate;bromide?
The IUPAC name of magnesium;cyclopropyl(phenyl)methanolate;bromide (CID 165347290) is magnesium;cyclopropyl(phenyl)methanolate;bromide.
What is the SMILES notation for magnesium;cyclopropyl(phenyl)methanolate;bromide?
The canonical SMILES for magnesium;cyclopropyl(phenyl)methanolate;bromide is [Br-].[Mg+2].[O-]C(c1ccccc1)C1CC1.
What is the InChIKey of magnesium;cyclopropyl(phenyl)methanolate;bromide?
The InChIKey is LTUDBQYZKOTIRG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11O.BrH.Mg/c11-10(9-6-7-9)8-4-2-1-3-5-8;;/h1-5,9-10H,6-7H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;cyclopropyl(phenyl)methanolate;bromide?
magnesium;cyclopropyl(phenyl)methanolate;bromide has a molecular weight of 251.41 g/mol, XLogP of -1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;cyclopropyl(phenyl)methanolate;bromide is sourced from PubChem (CID 165347290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).