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

C23H15ClO3 — CID 19402

IUPAC2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H
InChIKeyUDHXJZHVNHGCEC-UHFFFAOYSA-N
MW374.82 g/mol
LogP4.74
Rot. Bonds4

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

2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione (PubChem CID 19402) has the molecular formula C23H15ClO3 and a molecular weight of 374.82 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione
PubChem CID19402
Molecular FormulaC23H15ClO3
Molecular Weight374.82 g/mol
Exact Mass374.07
IUPAC Name2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H
InChIKeyUDHXJZHVNHGCEC-UHFFFAOYSA-N
XLogP4.74
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 54.74
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione (CID 19402) is 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione is O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione?
The InChIKey is UDHXJZHVNHGCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H.
What are the key properties of 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione?
2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione has a molecular weight of 374.82 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione is sourced from PubChem (CID 19402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).