magnesium;1-chloro-2-(3-methylbutoxy)benzene-5-ide;bromide

C11H14BrClMgO — CID 91656857

IUPACmagnesium;1-chloro-2-(3-methylbutoxy)benzene-5-ide;bromide
SMILESCC(C)CCOc1cc[c-]cc1Cl.[Br-].[Mg+2]
InChIInChI=1S/C11H14ClO.BrH.Mg/c1-9(2)7-8-13-11-6-4-3-5-10(11)12;;/h4-6,9H,7-8H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyPVWIXFWZMGBCMK-UHFFFAOYSA-M
MW301.89 g/mol
LogP0.19
Rot. Bonds4

About magnesium;1-chloro-2-(3-methylbutoxy)benzene-5-ide;bromide

magnesium;1-chloro-2-(3-methylbutoxy)benzene-5-ide;bromide (PubChem CID 91656857) has the molecular formula C11H14BrClMgO and a molecular weight of 301.89 g/mol. Its IUPAC name is magnesium;1-chloro-2-(3-methylbutoxy)benzene-5-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-chloro-2-(3-methylbutoxy)benzene-5-ide;bromide
PubChem CID91656857
Molecular FormulaC11H14BrClMgO
Molecular Weight301.89 g/mol
Exact Mass299.98
IUPAC Namemagnesium;1-chloro-2-(3-methylbutoxy)benzene-5-ide;bromide
SMILESCC(C)CCOc1cc[c-]cc1Cl.[Br-].[Mg+2]
InChIInChI=1S/C11H14ClO.BrH.Mg/c1-9(2)7-8-13-11-6-4-3-5-10(11)12;;/h4-6,9H,7-8H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyPVWIXFWZMGBCMK-UHFFFAOYSA-M
XLogP0.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.89
LogP ≤ 50.19
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

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CID 91655989
1-chloro-2-(4-methylpentoxy)benzene
CID 59060951
1-chloro-2-fluoro-4-(3-methylbutoxy)-3-(trifluoromethyl)benzene
CID 162590808
2-(bromomethyl)-4-chloro-1-(3-methylbutoxy)benzene
CID 43141990
3-chloro-4-(3-methylbutoxy)benzenecarboximidamide
CID 61388930
acetonitrile;4-chloro-7-(3-methylbutoxy)-2,3-dihydro-1H-isoindole
CID 19025824
1,3,5-trichloro-2-(3-methylbutoxy)benzene
CID 91691972
magnesium;3-methylbutylsulfanylbenzene;bromide
CID 91656515
1,2-dibromo-4,5-bis(3-methylbutoxy)benzene
CID 69302382
[3-chloro-4-(4-methylpentoxy)phenyl]methanol
CID 83159020
1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine
CID 63421655
5-iodo-2-(3-methylbutoxy)aniline
CID 66080957

Frequently Asked Questions

What is the IUPAC name of magnesium;1-chloro-2-(3-methylbutoxy)benzene-5-ide;bromide?
The IUPAC name of magnesium;1-chloro-2-(3-methylbutoxy)benzene-5-ide;bromide (CID 91656857) is magnesium;1-chloro-2-(3-methylbutoxy)benzene-5-ide;bromide.
What is the SMILES notation for magnesium;1-chloro-2-(3-methylbutoxy)benzene-5-ide;bromide?
The canonical SMILES for magnesium;1-chloro-2-(3-methylbutoxy)benzene-5-ide;bromide is CC(C)CCOc1cc[c-]cc1Cl.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-chloro-2-(3-methylbutoxy)benzene-5-ide;bromide?
The InChIKey is PVWIXFWZMGBCMK-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14ClO.BrH.Mg/c1-9(2)7-8-13-11-6-4-3-5-10(11)12;;/h4-6,9H,7-8H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-chloro-2-(3-methylbutoxy)benzene-5-ide;bromide?
magnesium;1-chloro-2-(3-methylbutoxy)benzene-5-ide;bromide has a molecular weight of 301.89 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-chloro-2-(3-methylbutoxy)benzene-5-ide;bromide is sourced from PubChem (CID 91656857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).