(E)-1-(2,4-dichlorophenyl)non-1-en-3-one

C15H18Cl2O — CID 5375578

IUPAC(E)-1-(2,4-dichlorophenyl)non-1-en-3-one
SMILESCCCCCCC(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2O/c1-2-3-4-5-6-14(18)10-8-12-7-9-13(16)11-15(12)17/h7-11H,2-6H2,1H3/b10-8+
InChIKeyGYUAJPUNRBVZJZ-CSKARUKUSA-N
MW285.21 g/mol
LogP5.55
Rot. Bonds7

About (E)-1-(2,4-dichlorophenyl)non-1-en-3-one

(E)-1-(2,4-dichlorophenyl)non-1-en-3-one (PubChem CID 5375578) has the molecular formula C15H18Cl2O and a molecular weight of 285.21 g/mol. Its IUPAC name is (E)-1-(2,4-dichlorophenyl)non-1-en-3-one.

Molecular Properties

Compound Name(E)-1-(2,4-dichlorophenyl)non-1-en-3-one
PubChem CID5375578
Molecular FormulaC15H18Cl2O
Molecular Weight285.21 g/mol
Exact Mass284.07
IUPAC Name(E)-1-(2,4-dichlorophenyl)non-1-en-3-one
SMILESCCCCCCC(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2O/c1-2-3-4-5-6-14(18)10-8-12-7-9-13(16)11-15(12)17/h7-11H,2-6H2,1H3/b10-8+
InChIKeyGYUAJPUNRBVZJZ-CSKARUKUSA-N
XLogP5.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.21
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1-(2,4-dichlorophenyl)non-1-en-3-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

1-(2,4-dichlorophenyl)pent-1-en-3-one
CID 142778018
1-(2,4-dichlorophenyl)-6-nitrohex-1-en-3-one
CID 67802908
propyl 3-(2,4-dichlorophenyl)prop-2-enoate
CID 78907714
N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide
CID 4238227
(E)-3-(2,4-dichlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 6053257
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
1-(2,4-dichlorophenyl)decane-1,3-dione
CID 43321487
(Z)-1-(3-hydroxyphenyl)non-1-en-3-one
CID 92528645
1-phenylundec-1-en-3-one
CID 3805572
1-(2,4-dichlorophenyl)hexan-1-one
CID 57230005
(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
[2-(butylcarbamoylamino)-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 26749574

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,4-dichlorophenyl)non-1-en-3-one?
The IUPAC name of (E)-1-(2,4-dichlorophenyl)non-1-en-3-one (CID 5375578) is (E)-1-(2,4-dichlorophenyl)non-1-en-3-one.
What is the SMILES notation for (E)-1-(2,4-dichlorophenyl)non-1-en-3-one?
The canonical SMILES for (E)-1-(2,4-dichlorophenyl)non-1-en-3-one is CCCCCCC(=O)/C=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-1-(2,4-dichlorophenyl)non-1-en-3-one?
The InChIKey is GYUAJPUNRBVZJZ-CSKARUKUSA-N. The full InChI is InChI=1S/C15H18Cl2O/c1-2-3-4-5-6-14(18)10-8-12-7-9-13(16)11-15(12)17/h7-11H,2-6H2,1H3/b10-8+.
What are the key properties of (E)-1-(2,4-dichlorophenyl)non-1-en-3-one?
(E)-1-(2,4-dichlorophenyl)non-1-en-3-one has a molecular weight of 285.21 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,4-dichlorophenyl)non-1-en-3-one is sourced from PubChem (CID 5375578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).