magnesium;1-chloro-2-pentoxybenzene-5-ide;bromide

C11H14BrClMgO — CID 91655989

IUPACmagnesium;1-chloro-2-pentoxybenzene-5-ide;bromide
SMILESCCCCCOc1cc[c-]cc1Cl.[Br-].[Mg+2]
InChIInChI=1S/C11H14ClO.BrH.Mg/c1-2-3-6-9-13-11-8-5-4-7-10(11)12;;/h5,7-8H,2-3,6,9H2,1H3;1H;/q-1;;+2/p-1
InChIKeyAFSFPBHCNGAIQK-UHFFFAOYSA-M
MW301.89 g/mol
LogP0.33
Rot. Bonds5

About magnesium;1-chloro-2-pentoxybenzene-5-ide;bromide

magnesium;1-chloro-2-pentoxybenzene-5-ide;bromide (PubChem CID 91655989) has the molecular formula C11H14BrClMgO and a molecular weight of 301.89 g/mol. Its IUPAC name is magnesium;1-chloro-2-pentoxybenzene-5-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-chloro-2-pentoxybenzene-5-ide;bromide
PubChem CID91655989
Molecular FormulaC11H14BrClMgO
Molecular Weight301.89 g/mol
Exact Mass299.98
IUPAC Namemagnesium;1-chloro-2-pentoxybenzene-5-ide;bromide
SMILESCCCCCOc1cc[c-]cc1Cl.[Br-].[Mg+2]
InChIInChI=1S/C11H14ClO.BrH.Mg/c1-2-3-6-9-13-11-8-5-4-7-10(11)12;;/h5,7-8H,2-3,6,9H2,1H3;1H;/q-1;;+2/p-1
InChIKeyAFSFPBHCNGAIQK-UHFFFAOYSA-M
XLogP0.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.89
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze magnesium;1-chloro-2-pentoxybenzene-5-ide;bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bromozinc(1+);1-chloro-2-(2-ethoxyethoxy)benzene-5-ide
CID 146002290
2-chloro-4-methylsulfanyl-1-pentoxybenzene
CID 91657258
1,2,3-trichloro-4-pentoxybenzene
CID 101293544
1,2,3-trichloro-4-octoxybenzene
CID 23191648
3-chloro-4-pentoxyaniline;hydrochloride
CID 134110655
3-chloro-4-nonoxyaniline
CID 43129005
1-(3-chloro-4-octoxyphenyl)ethanone
CID 55223026
2-chloro-4-(2-methylheptan-2-yl)-1-pentoxybenzene
CID 54425334
1,2,4-trichloro-5-undecoxybenzene
CID 518118
magnesium;pentoxymethylbenzene;bromide
CID 91655374
(3-chloro-4-nonoxyphenyl)methanamine
CID 63404558
(3-chloro-4-nonoxyphenyl)methanol
CID 63533386

Frequently Asked Questions

What is the IUPAC name of magnesium;1-chloro-2-pentoxybenzene-5-ide;bromide?
The IUPAC name of magnesium;1-chloro-2-pentoxybenzene-5-ide;bromide (CID 91655989) is magnesium;1-chloro-2-pentoxybenzene-5-ide;bromide.
What is the SMILES notation for magnesium;1-chloro-2-pentoxybenzene-5-ide;bromide?
The canonical SMILES for magnesium;1-chloro-2-pentoxybenzene-5-ide;bromide is CCCCCOc1cc[c-]cc1Cl.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-chloro-2-pentoxybenzene-5-ide;bromide?
The InChIKey is AFSFPBHCNGAIQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14ClO.BrH.Mg/c1-2-3-6-9-13-11-8-5-4-7-10(11)12;;/h5,7-8H,2-3,6,9H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-chloro-2-pentoxybenzene-5-ide;bromide?
magnesium;1-chloro-2-pentoxybenzene-5-ide;bromide has a molecular weight of 301.89 g/mol, XLogP of 0.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-chloro-2-pentoxybenzene-5-ide;bromide is sourced from PubChem (CID 91655989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).