1-(2,4-dichlorophenyl)decane-1,3-dione

C16H20Cl2O2 — CID 43321487

IUPAC1-(2,4-dichlorophenyl)decane-1,3-dione
SMILESCCCCCCCC(=O)CC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2O2/c1-2-3-4-5-6-7-13(19)11-16(20)14-9-8-12(17)10-15(14)18/h8-10H,2-7,11H2,1H3
InChIKeyFUWNTCAMBKQNLG-UHFFFAOYSA-N
MW315.24 g/mol
LogP5.50
Rot. Bonds9

About 1-(2,4-dichlorophenyl)decane-1,3-dione

1-(2,4-dichlorophenyl)decane-1,3-dione (PubChem CID 43321487) has the molecular formula C16H20Cl2O2 and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)decane-1,3-dione.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)decane-1,3-dione
PubChem CID43321487
Molecular FormulaC16H20Cl2O2
Molecular Weight315.24 g/mol
Exact Mass314.08
IUPAC Name1-(2,4-dichlorophenyl)decane-1,3-dione
SMILESCCCCCCCC(=O)CC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2O2/c1-2-3-4-5-6-7-13(19)11-16(20)14-9-8-12(17)10-15(14)18/h8-10H,2-7,11H2,1H3
InChIKeyFUWNTCAMBKQNLG-UHFFFAOYSA-N
XLogP5.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.24
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)hexan-1-one
CID 57230005
1-(2,4-dichlorophenyl)-5-ethoxypentane-1,3-dione
CID 43321488
1-[4-(2,4-dichlorobenzoyl)phenyl]nonan-1-one
CID 158169372
N-[1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 4154549
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 6023036
2,4-dichloro-N-nonylbenzamide
CID 3596264
1-(2,4-dimethylphenyl)decane-1,3-dione
CID 43321493
1-(2,4-difluorophenyl)octane-1,3-dione
CID 43321124
1-(4-amino-2-chlorophenyl)dodecan-1-one
CID 65426442
methyl 6-(2,4-dichlorophenyl)-6-oxohexanoate
CID 146009606
1-(4-bromo-2-chlorophenyl)undecan-1-one
CID 114968877
1-[4-(3-oxononanoyl)phenyl]nonane-1,3-dione
CID 101015760

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)decane-1,3-dione?
The IUPAC name of 1-(2,4-dichlorophenyl)decane-1,3-dione (CID 43321487) is 1-(2,4-dichlorophenyl)decane-1,3-dione.
What is the SMILES notation for 1-(2,4-dichlorophenyl)decane-1,3-dione?
The canonical SMILES for 1-(2,4-dichlorophenyl)decane-1,3-dione is CCCCCCCC(=O)CC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)decane-1,3-dione?
The InChIKey is FUWNTCAMBKQNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2O2/c1-2-3-4-5-6-7-13(19)11-16(20)14-9-8-12(17)10-15(14)18/h8-10H,2-7,11H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)decane-1,3-dione?
1-(2,4-dichlorophenyl)decane-1,3-dione has a molecular weight of 315.24 g/mol, XLogP of 5.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)decane-1,3-dione is sourced from PubChem (CID 43321487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).