magnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide

C13H10BrFMgO — CID 91656298

IUPACmagnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide
SMILESFc1cc[c-]cc1OCc1ccccc1.[Br-].[Mg+2]
InChIInChI=1S/C13H10FO.BrH.Mg/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;;/h1-4,6-9H,10H2;1H;/q-1;;+2/p-1
InChIKeyKBDABOLRLOKYFK-UHFFFAOYSA-M
MW305.43 g/mol
LogP-0.17
Rot. Bonds3

About magnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide

magnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide (PubChem CID 91656298) has the molecular formula C13H10BrFMgO and a molecular weight of 305.43 g/mol. Its IUPAC name is magnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide
PubChem CID91656298
Molecular FormulaC13H10BrFMgO
Molecular Weight305.43 g/mol
Exact Mass303.97
IUPAC Namemagnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide
SMILESFc1cc[c-]cc1OCc1ccccc1.[Br-].[Mg+2]
InChIInChI=1S/C13H10FO.BrH.Mg/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;;/h1-4,6-9H,10H2;1H;/q-1;;+2/p-1
InChIKeyKBDABOLRLOKYFK-UHFFFAOYSA-M
XLogP-0.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 5-0.17
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 87388924
bromozinc(1+);1-fluoro-2-(phenylmethoxy)benzene
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magnesium;1,4-difluoro-2-(phenylmethoxy)benzene;bromide
CID 91655643
magnesium;1-chloro-2-(phenylmethoxy)benzene;bromide
CID 91655253
magnesium;2,4-difluoro-1-(phenylmethoxy)benzene;bromide
CID 91656518
(2-fluoro-6-phenylmethoxyphenyl)methanamine
CID 23071556
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
4-chloro-6-fluoro-7-phenylmethoxyquinazoline
CID 86605229
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
3,4-difluoro-N,N-dimethyl-5-phenylmethoxyaniline
CID 71507610
(3-chloro-4-fluoro-5-phenylmethoxyphenyl)methanol
CID 164895501

Frequently Asked Questions

What is the IUPAC name of magnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide?
The IUPAC name of magnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide (CID 91656298) is magnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide.
What is the SMILES notation for magnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide?
The canonical SMILES for magnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide is Fc1cc[c-]cc1OCc1ccccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide?
The InChIKey is KBDABOLRLOKYFK-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10FO.BrH.Mg/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;;/h1-4,6-9H,10H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide?
magnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide has a molecular weight of 305.43 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide is sourced from PubChem (CID 91656298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).