[(E)-prop-1-enoxy]benzene;zinc;chloride

C9H10ClOZn- — CID 101206990

IUPAC[(E)-prop-1-enoxy]benzene;zinc;chloride
SMILESC/C=C/Oc1ccccc1.[Cl-].[Zn]
InChIInChI=1S/C9H10O.ClH.Zn/c1-2-8-10-9-6-4-3-5-7-9;;/h2-8H,1H3;1H;/p-1/b8-2+;;
InChIKeyOMJWSOJJZUGXOY-SZPWSVBHSA-M
MW235.02 g/mol
LogP-0.40
Rot. Bonds2

About [(E)-prop-1-enoxy]benzene;zinc;chloride

[(E)-prop-1-enoxy]benzene;zinc;chloride (PubChem CID 101206990) has the molecular formula C9H10ClOZn- and a molecular weight of 235.02 g/mol. Its IUPAC name is [(E)-prop-1-enoxy]benzene;zinc;chloride.

Molecular Properties

Compound Name[(E)-prop-1-enoxy]benzene;zinc;chloride
PubChem CID101206990
Molecular FormulaC9H10ClOZn-
Molecular Weight235.02 g/mol
Exact Mass232.97
IUPAC Name[(E)-prop-1-enoxy]benzene;zinc;chloride
SMILESC/C=C/Oc1ccccc1.[Cl-].[Zn]
InChIInChI=1S/C9H10O.ClH.Zn/c1-2-8-10-9-6-4-3-5-7-9;;/h2-8H,1H3;1H;/p-1/b8-2+;;
InChIKeyOMJWSOJJZUGXOY-SZPWSVBHSA-M
XLogP-0.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.02
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

diphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium
CID 140816196
[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene
CID 143684378
octa-1,6-dienoxybenzene
CID 66617276
1-methoxy-3-[(Z)-prop-1-enoxy]benzene
CID 643895
1-methyl-3-[(Z)-prop-1-enoxy]benzene
CID 643746
1-tert-butyl-4-[(E)-prop-1-enoxy]benzene
CID 641282
(4-acetyloxyphenyl)-diphenylsulfanium;diphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium
CID 167628772
1-ethoxy-4-[(Z)-prop-1-enoxy]benzene
CID 101144110
[(Z)-but-1-enoxy]benzene;ethane
CID 143220778
ethane;1-methyl-3-[(E)-prop-1-enoxy]benzene;prop-1-ene
CID 143800942
2-phenoxyethenylbenzene;1,2-xylene
CID 174396691
1-prop-1-enoxy-4-propylbenzene
CID 172744984

Frequently Asked Questions

What is the IUPAC name of [(E)-prop-1-enoxy]benzene;zinc;chloride?
The IUPAC name of [(E)-prop-1-enoxy]benzene;zinc;chloride (CID 101206990) is [(E)-prop-1-enoxy]benzene;zinc;chloride.
What is the SMILES notation for [(E)-prop-1-enoxy]benzene;zinc;chloride?
The canonical SMILES for [(E)-prop-1-enoxy]benzene;zinc;chloride is C/C=C/Oc1ccccc1.[Cl-].[Zn].
What is the InChIKey of [(E)-prop-1-enoxy]benzene;zinc;chloride?
The InChIKey is OMJWSOJJZUGXOY-SZPWSVBHSA-M. The full InChI is InChI=1S/C9H10O.ClH.Zn/c1-2-8-10-9-6-4-3-5-7-9;;/h2-8H,1H3;1H;/p-1/b8-2+;;.
What are the key properties of [(E)-prop-1-enoxy]benzene;zinc;chloride?
[(E)-prop-1-enoxy]benzene;zinc;chloride has a molecular weight of 235.02 g/mol, XLogP of -0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-prop-1-enoxy]benzene;zinc;chloride is sourced from PubChem (CID 101206990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).