magnesium;1-chloro-2-(phenylmethoxy)benzene;bromide

C13H10BrClMgO — CID 91655253

IUPACmagnesium;1-chloro-2-(phenylmethoxy)benzene;bromide
SMILESClc1ccccc1OCc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C13H10ClO.BrH.Mg/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;;/h2-9H,10H2;1H;/q-1;;+2/p-1
InChIKeyAQQCHDAOPNJWDO-UHFFFAOYSA-M
MW321.88 g/mol
LogP0.34
Rot. Bonds3

About magnesium;1-chloro-2-(phenylmethoxy)benzene;bromide

magnesium;1-chloro-2-(phenylmethoxy)benzene;bromide (PubChem CID 91655253) has the molecular formula C13H10BrClMgO and a molecular weight of 321.88 g/mol. Its IUPAC name is magnesium;1-chloro-2-(phenylmethoxy)benzene;bromide.

Molecular Properties

Compound Namemagnesium;1-chloro-2-(phenylmethoxy)benzene;bromide
PubChem CID91655253
Molecular FormulaC13H10BrClMgO
Molecular Weight321.88 g/mol
Exact Mass319.95
IUPAC Namemagnesium;1-chloro-2-(phenylmethoxy)benzene;bromide
SMILESClc1ccccc1OCc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C13H10ClO.BrH.Mg/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;;/h2-9H,10H2;1H;/q-1;;+2/p-1
InChIKeyAQQCHDAOPNJWDO-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+);2-chloro-4-fluoro-1-(phenylmethoxy)benzene
CID 146002169
magnesium;1,4-difluoro-2-(phenylmethoxy)benzene;bromide
CID 91655643
magnesium;2,4-difluoro-1-(phenylmethoxy)benzene;bromide
CID 91656518
[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
CID 1265675
N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62454422
1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64763975
2-amino-4-[(2-chlorophenoxy)methyl]phenol
CID 117221784
magnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide
CID 91656298
4-[(2-chlorophenoxy)methyl]-1,2-dimethoxybenzene
CID 64763618
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
2-bromo-5-[(2-chlorophenoxy)methyl]phenol
CID 117220261

Frequently Asked Questions

What is the IUPAC name of magnesium;1-chloro-2-(phenylmethoxy)benzene;bromide?
The IUPAC name of magnesium;1-chloro-2-(phenylmethoxy)benzene;bromide (CID 91655253) is magnesium;1-chloro-2-(phenylmethoxy)benzene;bromide.
What is the SMILES notation for magnesium;1-chloro-2-(phenylmethoxy)benzene;bromide?
The canonical SMILES for magnesium;1-chloro-2-(phenylmethoxy)benzene;bromide is Clc1ccccc1OCc1cc[c-]cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-chloro-2-(phenylmethoxy)benzene;bromide?
The InChIKey is AQQCHDAOPNJWDO-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10ClO.BrH.Mg/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;;/h2-9H,10H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-chloro-2-(phenylmethoxy)benzene;bromide?
magnesium;1-chloro-2-(phenylmethoxy)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-2-(phenylmethoxy)benzene;bromide is sourced from PubChem (CID 91655253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).