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

C23H16Cl2O3 — CID 67831677

IUPAC2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione;hydrochloride
SMILESCl.O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H15ClO3.ClH/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;1H
InChIKeyKRBKUJIUYOIEFV-UHFFFAOYSA-N
MW411.28 g/mol
LogP5.16
Rot. Bonds4

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

2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione;hydrochloride (PubChem CID 67831677) has the molecular formula C23H16Cl2O3 and a molecular weight of 411.28 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione;hydrochloride
PubChem CID67831677
Molecular FormulaC23H16Cl2O3
Molecular Weight411.28 g/mol
Exact Mass410.05
IUPAC Name2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione;hydrochloride
SMILESCl.O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H15ClO3.ClH/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;1H
InChIKeyKRBKUJIUYOIEFV-UHFFFAOYSA-N
XLogP5.16
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.28
LogP ≤ 55.16
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

silver 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione
CID 23618747
2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione
CID 99865070
(2R)-2-(4-chlorophenyl)-2-phenylacetic acid
CID 7009399
(3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one
CID 71312363
(2R,3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-prop-2-enylidenehydrazinylidene]inden-1-one
CID 98298847
1-(2,2-diphenylacetyl)-3-hydrazinylidene-1H-inden-2-one
CID 151340938
2-[2-(4-chlorophenyl)acetyl]indene-1,3-dione
CID 154701810
N-benzyl-2,2-bis(4-chlorophenyl)acetamide
CID 1144143
1-benzhydryl-4-chlorobenzene
CID 13050205
2-(4-chlorophenyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetamide
CID 166244673
2-(3-chlorobenzoyl)indene-1,3-dione
CID 22648334
barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione;hydrochloride?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione;hydrochloride (CID 67831677) is 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione;hydrochloride.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione;hydrochloride?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione;hydrochloride is Cl.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;hydrochloride?
The InChIKey is KRBKUJIUYOIEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClO3.ClH/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;1H.
What are the key properties of 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione;hydrochloride?
2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione;hydrochloride has a molecular weight of 411.28 g/mol, XLogP of 5.16, 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;hydrochloride is sourced from PubChem (CID 67831677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).