6-(2,4-dichlorophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione

C19H16Cl2O3 — CID 11703279

IUPAC6-(2,4-dichlorophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione
SMILESCC1(C)C(=O)OC(c2ccc(Cl)cc2Cl)C(c2ccccc2)C1=O
InChIInChI=1S/C19H16Cl2O3/c1-19(2)17(22)15(11-6-4-3-5-7-11)16(24-18(19)23)13-9-8-12(20)10-14(13)21/h3-10,15-16H,1-2H3
InChIKeyLAXQWAGOFKSQFF-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.97
Rot. Bonds2

About 6-(2,4-dichlorophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione

6-(2,4-dichlorophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione (PubChem CID 11703279) has the molecular formula C19H16Cl2O3 and a molecular weight of 363.24 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione
PubChem CID11703279
Molecular FormulaC19H16Cl2O3
Molecular Weight363.24 g/mol
Exact Mass362.05
IUPAC Name6-(2,4-dichlorophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione
SMILESCC1(C)C(=O)OC(c2ccc(Cl)cc2Cl)C(c2ccccc2)C1=O
InChIInChI=1S/C19H16Cl2O3/c1-19(2)17(22)15(11-6-4-3-5-7-11)16(24-18(19)23)13-9-8-12(20)10-14(13)21/h3-10,15-16H,1-2H3
InChIKeyLAXQWAGOFKSQFF-UHFFFAOYSA-N
XLogP4.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione?
The IUPAC name of 6-(2,4-dichlorophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione (CID 11703279) is 6-(2,4-dichlorophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione?
The canonical SMILES for 6-(2,4-dichlorophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione is CC1(C)C(=O)OC(c2ccc(Cl)cc2Cl)C(c2ccccc2)C1=O.
What is the InChIKey of 6-(2,4-dichlorophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione?
The InChIKey is LAXQWAGOFKSQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2O3/c1-19(2)17(22)15(11-6-4-3-5-7-11)16(24-18(19)23)13-9-8-12(20)10-14(13)21/h3-10,15-16H,1-2H3.
What are the key properties of 6-(2,4-dichlorophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione?
6-(2,4-dichlorophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione has a molecular weight of 363.24 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione is sourced from PubChem (CID 11703279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).