(Z)-2,3-dichloro-1-phenylprop-2-en-1-one

C9H6Cl2O — CID 15354762

IUPAC(Z)-2,3-dichloro-1-phenylprop-2-en-1-one
SMILESO=C(/C(Cl)=C/Cl)c1ccccc1
InChIInChI=1S/C9H6Cl2O/c10-6-8(11)9(12)7-4-2-1-3-5-7/h1-6H/b8-6-
InChIKeyQNESRBWATRZOOB-VURMDHGXSA-N
MW201.05 g/mol
LogP3.19
Rot. Bonds2

About (Z)-2,3-dichloro-1-phenylprop-2-en-1-one

(Z)-2,3-dichloro-1-phenylprop-2-en-1-one (PubChem CID 15354762) has the molecular formula C9H6Cl2O and a molecular weight of 201.05 g/mol. Its IUPAC name is (Z)-2,3-dichloro-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2,3-dichloro-1-phenylprop-2-en-1-one
PubChem CID15354762
Molecular FormulaC9H6Cl2O
Molecular Weight201.05 g/mol
Exact Mass199.98
IUPAC Name(Z)-2,3-dichloro-1-phenylprop-2-en-1-one
SMILESO=C(/C(Cl)=C/Cl)c1ccccc1
InChIInChI=1S/C9H6Cl2O/c10-6-8(11)9(12)7-4-2-1-3-5-7/h1-6H/b8-6-
InChIKeyQNESRBWATRZOOB-VURMDHGXSA-N
XLogP3.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene
CID 88738435
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
2,3-dioxo-3-phenylpropanoyl chloride
CID 87558488
bis(1,2-diphenylethane-1,2-dione);silylidenezirconium
CID 158973097
2-oxo-2-phenylacetic acid;yttrium
CID 20801354
benzoyl chloride;selane
CID 174449470
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-dichloro-1-phenylprop-2-en-1-one?
The IUPAC name of (Z)-2,3-dichloro-1-phenylprop-2-en-1-one (CID 15354762) is (Z)-2,3-dichloro-1-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-2,3-dichloro-1-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-2,3-dichloro-1-phenylprop-2-en-1-one is O=C(/C(Cl)=C/Cl)c1ccccc1.
What is the InChIKey of (Z)-2,3-dichloro-1-phenylprop-2-en-1-one?
The InChIKey is QNESRBWATRZOOB-VURMDHGXSA-N. The full InChI is InChI=1S/C9H6Cl2O/c10-6-8(11)9(12)7-4-2-1-3-5-7/h1-6H/b8-6-.
What are the key properties of (Z)-2,3-dichloro-1-phenylprop-2-en-1-one?
(Z)-2,3-dichloro-1-phenylprop-2-en-1-one has a molecular weight of 201.05 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dichloro-1-phenylprop-2-en-1-one is sourced from PubChem (CID 15354762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).