magnesium;ethane;propoxybenzene;bromide

C11H17BrMgO — CID 175337245

IUPACmagnesium;ethane;propoxybenzene;bromide
SMILESCCCOc1ccccc1.[Br-].[CH2-]C.[Mg+2]
InChIInChI=1S/C9H12O.C2H5.BrH.Mg/c1-2-8-10-9-6-4-3-5-7-9;1-2;;/h3-7H,2,8H2,1H3;1H2,2H3;1H;/q;-1;;+2/p-1
InChIKeyAPGUCCZJSHIVQJ-UHFFFAOYSA-M
MW269.46 g/mol
LogP-0.06
Rot. Bonds3

About magnesium;ethane;propoxybenzene;bromide

magnesium;ethane;propoxybenzene;bromide (PubChem CID 175337245) has the molecular formula C11H17BrMgO and a molecular weight of 269.46 g/mol. Its IUPAC name is magnesium;ethane;propoxybenzene;bromide.

Molecular Properties

Compound Namemagnesium;ethane;propoxybenzene;bromide
PubChem CID175337245
Molecular FormulaC11H17BrMgO
Molecular Weight269.46 g/mol
Exact Mass268.03
IUPAC Namemagnesium;ethane;propoxybenzene;bromide
SMILESCCCOc1ccccc1.[Br-].[CH2-]C.[Mg+2]
InChIInChI=1S/C9H12O.C2H5.BrH.Mg/c1-2-8-10-9-6-4-3-5-7-9;1-2;;/h3-7H,2,8H2,1H3;1H2,2H3;1H;/q;-1;;+2/p-1
InChIKeyAPGUCCZJSHIVQJ-UHFFFAOYSA-M
XLogP-0.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 5-0.06
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

CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
ethoxybenzene;propoxybenzene
CID 67747691
propoxybenzene;sulfur dioxide
CID 174403655
carbanide;ethane;propoxybenzene;propylbenzene;toluene;tris(yttrium)
CID 158660751
pentoxybenzene;undecane
CID 174778179
1-phenylmethoxy-4-propoxybenzene
CID 10728874
1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene
CID 91374788
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
1-phenoxy-4-(3-propoxypropoxy)benzene
CID 14353104
[phenyl-(4-propoxyphenyl)azaniumylidene]azanide
CID 140987604
propyl 3-phenoxypropanoate
CID 43389568

Frequently Asked Questions

What is the IUPAC name of magnesium;ethane;propoxybenzene;bromide?
The IUPAC name of magnesium;ethane;propoxybenzene;bromide (CID 175337245) is magnesium;ethane;propoxybenzene;bromide.
What is the SMILES notation for magnesium;ethane;propoxybenzene;bromide?
The canonical SMILES for magnesium;ethane;propoxybenzene;bromide is CCCOc1ccccc1.[Br-].[CH2-]C.[Mg+2].
What is the InChIKey of magnesium;ethane;propoxybenzene;bromide?
The InChIKey is APGUCCZJSHIVQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12O.C2H5.BrH.Mg/c1-2-8-10-9-6-4-3-5-7-9;1-2;;/h3-7H,2,8H2,1H3;1H2,2H3;1H;/q;-1;;+2/p-1.
What are the key properties of magnesium;ethane;propoxybenzene;bromide?
magnesium;ethane;propoxybenzene;bromide has a molecular weight of 269.46 g/mol, XLogP of -0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethane;propoxybenzene;bromide is sourced from PubChem (CID 175337245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).