2-phenylethenyl hypochlorite

C8H7ClO — CID 174846966

IUPAC2-phenylethenyl hypochlorite
SMILESClOC=Cc1ccccc1
InChIInChI=1S/C8H7ClO/c9-10-7-6-8-4-2-1-3-5-8/h1-7H
InChIKeyVVSSLFIRWNQNLJ-UHFFFAOYSA-N
MW154.60 g/mol
LogP2.83
Rot. Bonds2

About 2-phenylethenyl hypochlorite

2-phenylethenyl hypochlorite (PubChem CID 174846966) has the molecular formula C8H7ClO and a molecular weight of 154.60 g/mol. Its IUPAC name is 2-phenylethenyl hypochlorite.

Molecular Properties

Compound Name2-phenylethenyl hypochlorite
PubChem CID174846966
Molecular FormulaC8H7ClO
Molecular Weight154.60 g/mol
Exact Mass154.02
IUPAC Name2-phenylethenyl hypochlorite
SMILESClOC=Cc1ccccc1
InChIInChI=1S/C8H7ClO/c9-10-7-6-8-4-2-1-3-5-8/h1-7H
InChIKeyVVSSLFIRWNQNLJ-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethoxy)ethenylbenzene
CID 54484183
2-(2-chloroethoxy)ethenylbenzene
CID 54340888
oxo-bis(2-phenylethenoxy)phosphanium
CID 57163740
oxo-bis[(E)-2-phenylethenoxy]phosphanium
CID 18676604
CID 70567885
CID 70567885
CID 70569152
CID 70569152
1-chloro-4-[(E)-2-phenylethenoxy]benzene
CID 101411490
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
hydride;rubidium(1+);stilbene
CID 173437843
4-phenylbuta-1,3-dienylbenzene
CID 162273071
disodium;hydride;(E)-stilbene
CID 173089328
[diphenyl(2-phenylethenoxy)methyl]benzene
CID 54172131

Frequently Asked Questions

What is the IUPAC name of 2-phenylethenyl hypochlorite?
The IUPAC name of 2-phenylethenyl hypochlorite (CID 174846966) is 2-phenylethenyl hypochlorite.
What is the SMILES notation for 2-phenylethenyl hypochlorite?
The canonical SMILES for 2-phenylethenyl hypochlorite is ClOC=Cc1ccccc1.
What is the InChIKey of 2-phenylethenyl hypochlorite?
The InChIKey is VVSSLFIRWNQNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO/c9-10-7-6-8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-phenylethenyl hypochlorite?
2-phenylethenyl hypochlorite has a molecular weight of 154.60 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethenyl hypochlorite is sourced from PubChem (CID 174846966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).