zinc;ethane;methoxybenzene

C9H12OZn — CID 135076915

IUPACzinc;ethane;methoxybenzene
SMILESCOc1c[c-]ccc1.[CH2-]C.[Zn+2]
InChIInChI=1S/C7H7O.C2H5.Zn/c1-8-7-5-3-2-4-6-7;1-2;/h2-3,5-6H,1H3;1H2,2H3;/q2*-1;+2
InChIKeyVYVAPPCJZBBRTE-UHFFFAOYSA-N
MW201.58 g/mol
LogP2.33
Rot. Bonds1

About zinc;ethane;methoxybenzene

zinc;ethane;methoxybenzene (PubChem CID 135076915) has the molecular formula C9H12OZn and a molecular weight of 201.58 g/mol. Its IUPAC name is zinc;ethane;methoxybenzene.

Molecular Properties

Compound Namezinc;ethane;methoxybenzene
PubChem CID135076915
Molecular FormulaC9H12OZn
Molecular Weight201.58 g/mol
Exact Mass200.02
IUPAC Namezinc;ethane;methoxybenzene
SMILESCOc1c[c-]ccc1.[CH2-]C.[Zn+2]
InChIInChI=1S/C7H7O.C2H5.Zn/c1-8-7-5-3-2-4-6-7;1-2;/h2-3,5-6H,1H3;1H2,2H3;/q2*-1;+2
InChIKeyVYVAPPCJZBBRTE-UHFFFAOYSA-N
XLogP2.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.58
LogP ≤ 52.33
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

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anisole;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of zinc;ethane;methoxybenzene?
The IUPAC name of zinc;ethane;methoxybenzene (CID 135076915) is zinc;ethane;methoxybenzene.
What is the SMILES notation for zinc;ethane;methoxybenzene?
The canonical SMILES for zinc;ethane;methoxybenzene is COc1c[c-]ccc1.[CH2-]C.[Zn+2].
What is the InChIKey of zinc;ethane;methoxybenzene?
The InChIKey is VYVAPPCJZBBRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O.C2H5.Zn/c1-8-7-5-3-2-4-6-7;1-2;/h2-3,5-6H,1H3;1H2,2H3;/q2*-1;+2.
What are the key properties of zinc;ethane;methoxybenzene?
zinc;ethane;methoxybenzene has a molecular weight of 201.58 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;ethane;methoxybenzene is sourced from PubChem (CID 135076915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).