2-[2-(4-chlorophenyl)acetyl]indene-1,3-dione

C17H11ClO3 — CID 154701810

IUPAC2-[2-(4-chlorophenyl)acetyl]indene-1,3-dione
SMILESO=C(Cc1ccc(Cl)cc1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H11ClO3/c18-11-7-5-10(6-8-11)9-14(19)15-16(20)12-3-1-2-4-13(12)17(15)21/h1-8,15H,9H2
InChIKeyXYVDRRBGKJBTLI-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.15
Rot. Bonds3

About 2-[2-(4-chlorophenyl)acetyl]indene-1,3-dione

2-[2-(4-chlorophenyl)acetyl]indene-1,3-dione (PubChem CID 154701810) has the molecular formula C17H11ClO3 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)acetyl]indene-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)acetyl]indene-1,3-dione
PubChem CID154701810
Molecular FormulaC17H11ClO3
Molecular Weight298.73 g/mol
Exact Mass298.04
IUPAC Name2-[2-(4-chlorophenyl)acetyl]indene-1,3-dione
SMILESO=C(Cc1ccc(Cl)cc1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H11ClO3/c18-11-7-5-10(6-8-11)9-14(19)15-16(20)12-3-1-2-4-13(12)17(15)21/h1-8,15H,9H2
InChIKeyXYVDRRBGKJBTLI-UHFFFAOYSA-N
XLogP3.15
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
2-(4-chlorophenyl)-1-cyclobutylethanone
CID 61077692
2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione;hydrochloride
CID 67831677
silver 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione
CID 23618747
2-(3-phenylsulfanylpropanoyl)indene-1,3-dione
CID 14922311
2-(4-chlorophenyl)-1-cycloheptylethanone
CID 62588703
2-(4-chlorophenyl)acetate
CID 5460378
2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
CID 65350693
2-[2-(4-chlorophenyl)acetyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 175283369
2-(4-chlorophenyl)acetyl iodide
CID 89264950
2-(3-chlorobenzoyl)indene-1,3-dione
CID 22648334
2-[2-(4-methylsulfonylphenyl)acetyl]-5-[2-[2-(4-methylsulfonylphenyl)acetyl]-1,3-dioxoinden-5-yl]oxyindene-1,3-dione
CID 177259712

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)acetyl]indene-1,3-dione?
The IUPAC name of 2-[2-(4-chlorophenyl)acetyl]indene-1,3-dione (CID 154701810) is 2-[2-(4-chlorophenyl)acetyl]indene-1,3-dione.
What is the SMILES notation for 2-[2-(4-chlorophenyl)acetyl]indene-1,3-dione?
The canonical SMILES for 2-[2-(4-chlorophenyl)acetyl]indene-1,3-dione is O=C(Cc1ccc(Cl)cc1)C1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-(4-chlorophenyl)acetyl]indene-1,3-dione?
The InChIKey is XYVDRRBGKJBTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClO3/c18-11-7-5-10(6-8-11)9-14(19)15-16(20)12-3-1-2-4-13(12)17(15)21/h1-8,15H,9H2.
What are the key properties of 2-[2-(4-chlorophenyl)acetyl]indene-1,3-dione?
2-[2-(4-chlorophenyl)acetyl]indene-1,3-dione has a molecular weight of 298.73 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)acetyl]indene-1,3-dione is sourced from PubChem (CID 154701810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).