magnesium;4-fluoro-1-methoxy-2-phenylbenzene;bromide

C13H10BrFMgO — CID 91658422

IUPACmagnesium;4-fluoro-1-methoxy-2-phenylbenzene;bromide
SMILESCOc1ccc(F)cc1-c1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C13H10FO.BrH.Mg/c1-15-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10;;/h2-3,5-9H,1H3;1H;/q-1;;+2/p-1
InChIKeyGHKBZDQTUYYFEM-UHFFFAOYSA-M
MW305.43 g/mol
LogP-0.08
Rot. Bonds2

About magnesium;4-fluoro-1-methoxy-2-phenylbenzene;bromide

magnesium;4-fluoro-1-methoxy-2-phenylbenzene;bromide (PubChem CID 91658422) has the molecular formula C13H10BrFMgO and a molecular weight of 305.43 g/mol. Its IUPAC name is magnesium;4-fluoro-1-methoxy-2-phenylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;4-fluoro-1-methoxy-2-phenylbenzene;bromide
PubChem CID91658422
Molecular FormulaC13H10BrFMgO
Molecular Weight305.43 g/mol
Exact Mass303.97
IUPAC Namemagnesium;4-fluoro-1-methoxy-2-phenylbenzene;bromide
SMILESCOc1ccc(F)cc1-c1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C13H10FO.BrH.Mg/c1-15-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10;;/h2-3,5-9H,1H3;1H;/q-1;;+2/p-1
InChIKeyGHKBZDQTUYYFEM-UHFFFAOYSA-M
XLogP-0.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 5-0.08
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

4-fluoro-1-methoxy-2-(2-phenylphenyl)benzene
CID 69117197
2-chloro-5-(5-fluoro-2-methoxyphenyl)pyridine
CID 154604158
1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54910277
2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenol
CID 53219462
2-fluoro-4-(5-fluoro-2-methoxyphenyl)aniline
CID 54912635
1-[3-(3-fluorophenyl)-4-methoxyphenyl]ethanone
CID 82541241
1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
CID 175734991
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
5-(5-fluoro-2-methoxyphenyl)-2-methylphenol
CID 53218963
2-(5-fluoro-2-methoxyphenyl)thiophene
CID 22723462
3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid
CID 53226601
4-fluoro-1-methoxy-2-[2-(trifluoromethoxy)phenyl]benzene
CID 134630084

Frequently Asked Questions

What is the IUPAC name of magnesium;4-fluoro-1-methoxy-2-phenylbenzene;bromide?
The IUPAC name of magnesium;4-fluoro-1-methoxy-2-phenylbenzene;bromide (CID 91658422) is magnesium;4-fluoro-1-methoxy-2-phenylbenzene;bromide.
What is the SMILES notation for magnesium;4-fluoro-1-methoxy-2-phenylbenzene;bromide?
The canonical SMILES for magnesium;4-fluoro-1-methoxy-2-phenylbenzene;bromide is COc1ccc(F)cc1-c1c[c-]ccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;4-fluoro-1-methoxy-2-phenylbenzene;bromide?
The InChIKey is GHKBZDQTUYYFEM-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10FO.BrH.Mg/c1-15-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10;;/h2-3,5-9H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;4-fluoro-1-methoxy-2-phenylbenzene;bromide?
magnesium;4-fluoro-1-methoxy-2-phenylbenzene;bromide has a molecular weight of 305.43 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4-fluoro-1-methoxy-2-phenylbenzene;bromide is sourced from PubChem (CID 91658422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).