2-ethoxy-1,3-diphenylbenzene;zinc

C20H18OZn — CID 175181234

IUPAC2-ethoxy-1,3-diphenylbenzene;zinc
SMILESCCOc1c(-c2ccccc2)cccc1-c1ccccc1.[Zn]
InChIInChI=1S/C20H18O.Zn/c1-2-21-20-18(16-10-5-3-6-11-16)14-9-15-19(20)17-12-7-4-8-13-17;/h3-15H,2H2,1H3;
InChIKeyQTQYOFRZQGONLS-UHFFFAOYSA-N
MW339.75 g/mol
LogP5.42
Rot. Bonds4

About 2-ethoxy-1,3-diphenylbenzene;zinc

2-ethoxy-1,3-diphenylbenzene;zinc (PubChem CID 175181234) has the molecular formula C20H18OZn and a molecular weight of 339.75 g/mol. Its IUPAC name is 2-ethoxy-1,3-diphenylbenzene;zinc.

Molecular Properties

Compound Name2-ethoxy-1,3-diphenylbenzene;zinc
PubChem CID175181234
Molecular FormulaC20H18OZn
Molecular Weight339.75 g/mol
Exact Mass338.06
IUPAC Name2-ethoxy-1,3-diphenylbenzene;zinc
SMILESCCOc1c(-c2ccccc2)cccc1-c1ccccc1.[Zn]
InChIInChI=1S/C20H18O.Zn/c1-2-21-20-18(16-10-5-3-6-11-16)14-9-15-19(20)17-12-7-4-8-13-17;/h3-15H,2H2,1H3;
InChIKeyQTQYOFRZQGONLS-UHFFFAOYSA-N
XLogP5.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.75
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3-diphenylbenzene;zinc?
The IUPAC name of 2-ethoxy-1,3-diphenylbenzene;zinc (CID 175181234) is 2-ethoxy-1,3-diphenylbenzene;zinc.
What is the SMILES notation for 2-ethoxy-1,3-diphenylbenzene;zinc?
The canonical SMILES for 2-ethoxy-1,3-diphenylbenzene;zinc is CCOc1c(-c2ccccc2)cccc1-c1ccccc1.[Zn].
What is the InChIKey of 2-ethoxy-1,3-diphenylbenzene;zinc?
The InChIKey is QTQYOFRZQGONLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O.Zn/c1-2-21-20-18(16-10-5-3-6-11-16)14-9-15-19(20)17-12-7-4-8-13-17;/h3-15H,2H2,1H3;.
What are the key properties of 2-ethoxy-1,3-diphenylbenzene;zinc?
2-ethoxy-1,3-diphenylbenzene;zinc has a molecular weight of 339.75 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3-diphenylbenzene;zinc is sourced from PubChem (CID 175181234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).