magnesium;1-chloro-3-(phenoxymethyl)benzene;bromide

C13H10BrClMgO — CID 91655530

IUPACmagnesium;1-chloro-3-(phenoxymethyl)benzene;bromide
SMILESClc1cccc(COc2c[c-]ccc2)c1.[Br-].[Mg+2]
InChIInChI=1S/C13H10ClO.BrH.Mg/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13;;/h1-2,4-9H,10H2;1H;/q-1;;+2/p-1
InChIKeyRCABEMVHDAESBB-UHFFFAOYSA-M
MW321.88 g/mol
LogP0.34
Rot. Bonds3

About magnesium;1-chloro-3-(phenoxymethyl)benzene;bromide

magnesium;1-chloro-3-(phenoxymethyl)benzene;bromide (PubChem CID 91655530) has the molecular formula C13H10BrClMgO and a molecular weight of 321.88 g/mol. Its IUPAC name is magnesium;1-chloro-3-(phenoxymethyl)benzene;bromide.

Molecular Properties

Compound Namemagnesium;1-chloro-3-(phenoxymethyl)benzene;bromide
PubChem CID91655530
Molecular FormulaC13H10BrClMgO
Molecular Weight321.88 g/mol
Exact Mass319.95
IUPAC Namemagnesium;1-chloro-3-(phenoxymethyl)benzene;bromide
SMILESClc1cccc(COc2c[c-]ccc2)c1.[Br-].[Mg+2]
InChIInChI=1S/C13H10ClO.BrH.Mg/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13;;/h1-2,4-9H,10H2;1H;/q-1;;+2/p-1
InChIKeyRCABEMVHDAESBB-UHFFFAOYSA-M
XLogP0.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 50.34
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

bromozinc(1+);1-chloro-3-(phenoxymethyl)benzene
CID 146001800
magnesium;1,2-difluoro-4-(phenoxymethyl)benzene;bromide
CID 91657583
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63675843
2,5-bis[(3-chlorophenyl)methoxy]phenol
CID 139941886
N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22685923
O-methyl 3-[(3-chlorophenyl)methoxy]benzenecarbothioate
CID 19768753
[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-trifluoroboranuide
CID 83137066
4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene
CID 64764553
1-[4-[(3-chlorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 65125148

Frequently Asked Questions

What is the IUPAC name of magnesium;1-chloro-3-(phenoxymethyl)benzene;bromide?
The IUPAC name of magnesium;1-chloro-3-(phenoxymethyl)benzene;bromide (CID 91655530) is magnesium;1-chloro-3-(phenoxymethyl)benzene;bromide.
What is the SMILES notation for magnesium;1-chloro-3-(phenoxymethyl)benzene;bromide?
The canonical SMILES for magnesium;1-chloro-3-(phenoxymethyl)benzene;bromide is Clc1cccc(COc2c[c-]ccc2)c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-chloro-3-(phenoxymethyl)benzene;bromide?
The InChIKey is RCABEMVHDAESBB-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10ClO.BrH.Mg/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13;;/h1-2,4-9H,10H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-chloro-3-(phenoxymethyl)benzene;bromide?
magnesium;1-chloro-3-(phenoxymethyl)benzene;bromide has a molecular weight of 321.88 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-chloro-3-(phenoxymethyl)benzene;bromide is sourced from PubChem (CID 91655530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).