ethoxybenzene;zinc

C8H9OZn- — CID 87901262

IUPACethoxybenzene;zinc
SMILESC[CH-]Oc1ccccc1.[Zn]
InChIInChI=1S/C8H9O.Zn/c1-2-9-8-6-4-3-5-7-8;/h2-7H,1H3;/q-1;
InChIKeyUTCQKUNZYRJQNX-UHFFFAOYSA-N
MW186.55 g/mol
LogP2.24
Rot. Bonds2

About ethoxybenzene;zinc

ethoxybenzene;zinc (PubChem CID 87901262) has the molecular formula C8H9OZn- and a molecular weight of 186.55 g/mol. Its IUPAC name is ethoxybenzene;zinc.

Molecular Properties

Compound Nameethoxybenzene;zinc
PubChem CID87901262
Molecular FormulaC8H9OZn-
Molecular Weight186.55 g/mol
Exact Mass185.00
IUPAC Nameethoxybenzene;zinc
SMILESC[CH-]Oc1ccccc1.[Zn]
InChIInChI=1S/C8H9O.Zn/c1-2-9-8-6-4-3-5-7-8;/h2-7H,1H3;/q-1;
InChIKeyUTCQKUNZYRJQNX-UHFFFAOYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.55
LogP ≤ 52.24
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'}

Analyze ethoxybenzene;zinc 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

1-ethoxy-4-ethoxybenzene
CID 91392612
azane;phenylperoxybenzene
CID 174490395
1,2-dimethyl-1,2-diphenoxyhydrazine;hydrochloride
CID 172705670
CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007
O-phenylhydroxylamine;zinc
CID 175464016
ethane;phenyl hypofluorite
CID 143612065
acetylene;anisole
CID 86033716
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752

Frequently Asked Questions

What is the IUPAC name of ethoxybenzene;zinc?
The IUPAC name of ethoxybenzene;zinc (CID 87901262) is ethoxybenzene;zinc.
What is the SMILES notation for ethoxybenzene;zinc?
The canonical SMILES for ethoxybenzene;zinc is C[CH-]Oc1ccccc1.[Zn].
What is the InChIKey of ethoxybenzene;zinc?
The InChIKey is UTCQKUNZYRJQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O.Zn/c1-2-9-8-6-4-3-5-7-8;/h2-7H,1H3;/q-1;.
What are the key properties of ethoxybenzene;zinc?
ethoxybenzene;zinc has a molecular weight of 186.55 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxybenzene;zinc is sourced from PubChem (CID 87901262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).