1-(2,4-dichlorophenyl)pent-1-en-3-one

C11H10Cl2O — CID 142778018

IUPAC1-(2,4-dichlorophenyl)pent-1-en-3-one
SMILESCCC(=O)C=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2O/c1-2-10(14)6-4-8-3-5-9(12)7-11(8)13/h3-7H,2H2,1H3
InChIKeyYQFKWPOZWAMIOB-UHFFFAOYSA-N
MW229.11 g/mol
LogP3.99
Rot. Bonds3

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

1-(2,4-dichlorophenyl)pent-1-en-3-one (PubChem CID 142778018) has the molecular formula C11H10Cl2O and a molecular weight of 229.11 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)pent-1-en-3-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)pent-1-en-3-one
PubChem CID142778018
Molecular FormulaC11H10Cl2O
Molecular Weight229.11 g/mol
Exact Mass228.01
IUPAC Name1-(2,4-dichlorophenyl)pent-1-en-3-one
SMILESCCC(=O)C=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2O/c1-2-10(14)6-4-8-3-5-9(12)7-11(8)13/h3-7H,2H2,1H3
InChIKeyYQFKWPOZWAMIOB-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.99
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

(E)-1-(2,4-dichlorophenyl)non-1-en-3-one
CID 5375578
propyl 3-(2,4-dichlorophenyl)prop-2-enoate
CID 78907714
(E)-3-(2,4-dichlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 6053257
(E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide
CID 9163694
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6166785
1-(2,4-dichlorophenyl)-6-nitrohex-1-en-3-one
CID 67802908
(E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
CID 60740083
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6113892
diethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propanedioate
CID 33239901
1-[(Z)-but-1-enyl]-2,4-dichlorobenzene
CID 67080245
1-(2,4-dichlorophenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68550268
2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]acetic acid
CID 3322960

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)pent-1-en-3-one?
The IUPAC name of 1-(2,4-dichlorophenyl)pent-1-en-3-one (CID 142778018) is 1-(2,4-dichlorophenyl)pent-1-en-3-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)pent-1-en-3-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)pent-1-en-3-one is CCC(=O)C=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)pent-1-en-3-one?
The InChIKey is YQFKWPOZWAMIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O/c1-2-10(14)6-4-8-3-5-9(12)7-11(8)13/h3-7H,2H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)pent-1-en-3-one?
1-(2,4-dichlorophenyl)pent-1-en-3-one has a molecular weight of 229.11 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)pent-1-en-3-one is sourced from PubChem (CID 142778018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).