(2-oxo-1-phenylethenyl) hypochlorite

C8H5ClO2 — CID 86622261

IUPAC(2-oxo-1-phenylethenyl) hypochlorite
SMILESO=C=C(OCl)c1ccccc1
InChIInChI=1S/C8H5ClO2/c9-11-8(6-10)7-4-2-1-3-5-7/h1-5H
InChIKeyJLKMAPQOZWYSQD-UHFFFAOYSA-N
MW168.58 g/mol
LogP2.03
Rot. Bonds2

About (2-oxo-1-phenylethenyl) hypochlorite

(2-oxo-1-phenylethenyl) hypochlorite (PubChem CID 86622261) has the molecular formula C8H5ClO2 and a molecular weight of 168.58 g/mol. Its IUPAC name is (2-oxo-1-phenylethenyl) hypochlorite.

Molecular Properties

Compound Name(2-oxo-1-phenylethenyl) hypochlorite
PubChem CID86622261
Molecular FormulaC8H5ClO2
Molecular Weight168.58 g/mol
Exact Mass168.00
IUPAC Name(2-oxo-1-phenylethenyl) hypochlorite
SMILESO=C=C(OCl)c1ccccc1
InChIInChI=1S/C8H5ClO2/c9-11-8(6-10)7-4-2-1-3-5-7/h1-5H
InChIKeyJLKMAPQOZWYSQD-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-2-phenylethenone
CID 11819198
2-ethoxy-2-phenylethenone
CID 174331392
3-oxo-2-phenylprop-2-enoyl chloride
CID 10773734
chloro acetate;chloro benzoate
CID 68991315
2,3-dibenzoylbuta-1,3-diene-1,4-dione
CID 134874664
chloro benzoate;prop-2-enoic acid
CID 174644875
chloro benzoate;thiophene
CID 175145000
(2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate
CID 174983557
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
2-phenylbuta-1,3-diene-1,4-dione
CID 86181605
carbanide;ethane;2-phenylprop-1-en-1-one;yttrium
CID 157232453
N-ethynyl-2,2-diphenylethenimine
CID 140945321

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-phenylethenyl) hypochlorite?
The IUPAC name of (2-oxo-1-phenylethenyl) hypochlorite (CID 86622261) is (2-oxo-1-phenylethenyl) hypochlorite.
What is the SMILES notation for (2-oxo-1-phenylethenyl) hypochlorite?
The canonical SMILES for (2-oxo-1-phenylethenyl) hypochlorite is O=C=C(OCl)c1ccccc1.
What is the InChIKey of (2-oxo-1-phenylethenyl) hypochlorite?
The InChIKey is JLKMAPQOZWYSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClO2/c9-11-8(6-10)7-4-2-1-3-5-7/h1-5H.
What are the key properties of (2-oxo-1-phenylethenyl) hypochlorite?
(2-oxo-1-phenylethenyl) hypochlorite has a molecular weight of 168.58 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-phenylethenyl) hypochlorite is sourced from PubChem (CID 86622261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).