zinc 1-methanidyl-4-methoxybenzene

C8H9OZn+ — CID 22139715

IUPACzinc 1-methanidyl-4-methoxybenzene
SMILES[CH2-]c1ccc(OC)cc1.[Zn+2]
InChIInChI=1S/C8H9O.Zn/c1-7-3-5-8(9-2)6-4-7;/h3-6H,1H2,2H3;/q-1;+2
InChIKeyVLFSVIBVBJJKTQ-UHFFFAOYSA-N
MW186.55 g/mol
LogP1.87
Rot. Bonds1

About zinc 1-methanidyl-4-methoxybenzene

zinc 1-methanidyl-4-methoxybenzene (PubChem CID 22139715) has the molecular formula C8H9OZn+ and a molecular weight of 186.55 g/mol. Its IUPAC name is zinc 1-methanidyl-4-methoxybenzene.

Molecular Properties

Compound Namezinc 1-methanidyl-4-methoxybenzene
PubChem CID22139715
Molecular FormulaC8H9OZn+
Molecular Weight186.55 g/mol
Exact Mass184.99
IUPAC Namezinc 1-methanidyl-4-methoxybenzene
SMILES[CH2-]c1ccc(OC)cc1.[Zn+2]
InChIInChI=1S/C8H9O.Zn/c1-7-3-5-8(9-2)6-4-7;/h3-6H,1H2,2H3;/q-1;+2
InChIKeyVLFSVIBVBJJKTQ-UHFFFAOYSA-N
XLogP1.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.55
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium;ethane;1-methanidyl-4-methoxybenzene;1-methoxy-4-propylbenzene
CID 172578075
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
1-(113C)methoxy-4-methylbenzene
CID 166176950
cobalt;21,22-dihydroporphyrin;1-methanidyl-4-methoxybenzene
CID 174404824
CID 175604529
CID 175604529
CID 154175564
CID 154175564
CID 12607295
CID 12607295
(4-methoxyphenyl)silane
CID 100998160
1-methoxy-4-[1-(4-methoxyphenyl)-2-methylidenecyclopropyl]benzene
CID 13355231
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
methane;4-methoxyphenol
CID 159494332
tetrakis(4-methoxyphenyl)plumbane
CID 5092827

Frequently Asked Questions

What is the IUPAC name of zinc 1-methanidyl-4-methoxybenzene?
The IUPAC name of zinc 1-methanidyl-4-methoxybenzene (CID 22139715) is zinc 1-methanidyl-4-methoxybenzene.
What is the SMILES notation for zinc 1-methanidyl-4-methoxybenzene?
The canonical SMILES for zinc 1-methanidyl-4-methoxybenzene is [CH2-]c1ccc(OC)cc1.[Zn+2].
What is the InChIKey of zinc 1-methanidyl-4-methoxybenzene?
The InChIKey is VLFSVIBVBJJKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O.Zn/c1-7-3-5-8(9-2)6-4-7;/h3-6H,1H2,2H3;/q-1;+2.
What are the key properties of zinc 1-methanidyl-4-methoxybenzene?
zinc 1-methanidyl-4-methoxybenzene has a molecular weight of 186.55 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 1-methanidyl-4-methoxybenzene is sourced from PubChem (CID 22139715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).