(Z)-4-(2,6-dichlorophenyl)but-3-en-2-one

C10H8Cl2O — CID 42556106

IUPAC(Z)-4-(2,6-dichlorophenyl)but-3-en-2-one
SMILESCC(=O)/C=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2O/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-6H,1H3/b6-5-
InChIKeyQUUBBGLIJLKARO-WAYWQWQTSA-N
MW215.08 g/mol
LogP3.60
Rot. Bonds2

About (Z)-4-(2,6-dichlorophenyl)but-3-en-2-one

(Z)-4-(2,6-dichlorophenyl)but-3-en-2-one (PubChem CID 42556106) has the molecular formula C10H8Cl2O and a molecular weight of 215.08 g/mol. Its IUPAC name is (Z)-4-(2,6-dichlorophenyl)but-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(2,6-dichlorophenyl)but-3-en-2-one
PubChem CID42556106
Molecular FormulaC10H8Cl2O
Molecular Weight215.08 g/mol
Exact Mass214.00
IUPAC Name(Z)-4-(2,6-dichlorophenyl)but-3-en-2-one
SMILESCC(=O)/C=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2O/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-6H,1H3/b6-5-
InChIKeyQUUBBGLIJLKARO-WAYWQWQTSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-4-(2,6-dichlorophenyl)but-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-(2,4,6-trichlorophenyl)but-3-en-2-one
CID 67086478
(Z)-1-(2,6-dichlorophenyl)-4-methylpent-1-en-3-one
CID 92531585
(Z)-4-(2-chlorophenyl)but-3-en-2-one
CID 23273586
4-(2,6-dichloro-3-hydroxyphenyl)but-3-en-2-one
CID 67020007
(E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6026974
(E)-4-(2,6-difluorophenyl)but-3-en-2-one
CID 18371119
(E)-4-(2,6-dichlorophenyl)but-3-en-2-imine
CID 141315845
(4-acetylphenyl) (E)-3-(2,6-dichlorophenyl)prop-2-enoate
CID 732601
tert-butyl (E)-4-(2,6-dichlorophenyl)-2-oxobut-3-enoate
CID 71518628
3-(2,6-dichlorophenyl)-N-propylprop-2-enamide
CID 2930612
3-(2,6-dichlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one
CID 609032
(E)-4-(2-hydroxy-6-methylphenyl)but-3-en-2-one
CID 131241877

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2,6-dichlorophenyl)but-3-en-2-one?
The IUPAC name of (Z)-4-(2,6-dichlorophenyl)but-3-en-2-one (CID 42556106) is (Z)-4-(2,6-dichlorophenyl)but-3-en-2-one.
What is the SMILES notation for (Z)-4-(2,6-dichlorophenyl)but-3-en-2-one?
The canonical SMILES for (Z)-4-(2,6-dichlorophenyl)but-3-en-2-one is CC(=O)/C=C\c1c(Cl)cccc1Cl.
What is the InChIKey of (Z)-4-(2,6-dichlorophenyl)but-3-en-2-one?
The InChIKey is QUUBBGLIJLKARO-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H8Cl2O/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-6H,1H3/b6-5-.
What are the key properties of (Z)-4-(2,6-dichlorophenyl)but-3-en-2-one?
(Z)-4-(2,6-dichlorophenyl)but-3-en-2-one has a molecular weight of 215.08 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2,6-dichlorophenyl)but-3-en-2-one is sourced from PubChem (CID 42556106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).