magnesium [(1S,2R)-2-methyl-1-phenylcyclopropyl]methanolate

C11H12MgO — CID 134998960

IUPACmagnesium [(1S,2R)-2-methyl-1-phenylcyclopropyl]methanolate
SMILESC[C@@H]1[CH-][C@@]1(C[O-])c1ccccc1.[Mg+2]
InChIInChI=1S/C11H12O.Mg/c1-9-7-11(9,8-12)10-5-3-2-4-6-10;/h2-7,9H,8H2,1H3;/q-2;+2/t9-,11+;/m1./s1
InChIKeyHHMFCRITOHFRCL-XQKZEKTMSA-N
MW184.52 g/mol
LogP0.76
Rot. Bonds2

About magnesium [(1S,2R)-2-methyl-1-phenylcyclopropyl]methanolate

magnesium [(1S,2R)-2-methyl-1-phenylcyclopropyl]methanolate (PubChem CID 134998960) has the molecular formula C11H12MgO and a molecular weight of 184.52 g/mol. Its IUPAC name is magnesium [(1S,2R)-2-methyl-1-phenylcyclopropyl]methanolate.

Molecular Properties

Compound Namemagnesium [(1S,2R)-2-methyl-1-phenylcyclopropyl]methanolate
PubChem CID134998960
Molecular FormulaC11H12MgO
Molecular Weight184.52 g/mol
Exact Mass184.07
IUPAC Namemagnesium [(1S,2R)-2-methyl-1-phenylcyclopropyl]methanolate
SMILESC[C@@H]1[CH-][C@@]1(C[O-])c1ccccc1.[Mg+2]
InChIInChI=1S/C11H12O.Mg/c1-9-7-11(9,8-12)10-5-3-2-4-6-10;/h2-7,9H,8H2,1H3;/q-2;+2/t9-,11+;/m1./s1
InChIKeyHHMFCRITOHFRCL-XQKZEKTMSA-N
XLogP0.76
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.52
LogP ≤ 50.76
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

[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene
CID 100931572
3-phenyl-3-(trideuteriomethyl)diazirine
CID 131846032
(1S,4R,5S,6S)-5,6-dimethyl-1,4-diphenyl-2,3-diazabicyclo[2.2.2]oct-2-ene
CID 10708640
zinc;ethane;[(1R,2S)-2-ethyl-1-methylcyclopropyl]benzene
CID 134861633
(2R,5S,7S,10R)-1,6-diphenyl-11,12-diazatetracyclo[4.4.2.02,5.07,10]dodeca-3,8,11-triene
CID 99952248
[(1R,2R)-2-methyl-3-methylidene-1-phenylcyclopropyl]methanol
CID 102252022
(2,2-dibromo-1,3-dimethylcyclopropyl)benzene
CID 14471431
2,3,5,6-tetramethyl-2,3-diphenyl-1,4-dioxane
CID 154019435
magnesium;1-methyl-3-phenylbicyclo[1.1.0]butan-2-olate;chloride
CID 134838180
[(1S,2S,3S)-1-chloro-2-methyl-3-propan-2-ylcyclopropyl]benzene
CID 134980000
N-methyl-1-(2-methyl-1-phenylcyclobutyl)methanamine
CID 66431976
1,2,3,4,5,6,7,8,9,10-decakis-phenylhexacyclo[4.4.0.02,5.03,9.04,8.07,10]decane
CID 132561908

Frequently Asked Questions

What is the IUPAC name of magnesium [(1S,2R)-2-methyl-1-phenylcyclopropyl]methanolate?
The IUPAC name of magnesium [(1S,2R)-2-methyl-1-phenylcyclopropyl]methanolate (CID 134998960) is magnesium [(1S,2R)-2-methyl-1-phenylcyclopropyl]methanolate.
What is the SMILES notation for magnesium [(1S,2R)-2-methyl-1-phenylcyclopropyl]methanolate?
The canonical SMILES for magnesium [(1S,2R)-2-methyl-1-phenylcyclopropyl]methanolate is C[C@@H]1[CH-][C@@]1(C[O-])c1ccccc1.[Mg+2].
What is the InChIKey of magnesium [(1S,2R)-2-methyl-1-phenylcyclopropyl]methanolate?
The InChIKey is HHMFCRITOHFRCL-XQKZEKTMSA-N. The full InChI is InChI=1S/C11H12O.Mg/c1-9-7-11(9,8-12)10-5-3-2-4-6-10;/h2-7,9H,8H2,1H3;/q-2;+2/t9-,11+;/m1./s1.
What are the key properties of magnesium [(1S,2R)-2-methyl-1-phenylcyclopropyl]methanolate?
magnesium [(1S,2R)-2-methyl-1-phenylcyclopropyl]methanolate has a molecular weight of 184.52 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium [(1S,2R)-2-methyl-1-phenylcyclopropyl]methanolate is sourced from PubChem (CID 134998960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).