2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione

C26H22O3 — CID 99865070

IUPAC2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione
SMILESCC(C)c1ccc([C@H](C(=O)C2C(=O)c3ccccc3C2=O)c2ccccc2)cc1
InChIInChI=1S/C26H22O3/c1-16(2)17-12-14-19(15-13-17)22(18-8-4-3-5-9-18)26(29)23-24(27)20-10-6-7-11-21(20)25(23)28/h3-16,22-23H,1-2H3/t22-/m1/s1
InChIKeyLTOWHDDMSDCWDE-JOCHJYFZSA-N
MW382.46 g/mol
LogP5.21
Rot. Bonds5

About 2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione

2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione (PubChem CID 99865070) has the molecular formula C26H22O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione
PubChem CID99865070
Molecular FormulaC26H22O3
Molecular Weight382.46 g/mol
Exact Mass382.16
IUPAC Name2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione
SMILESCC(C)c1ccc([C@H](C(=O)C2C(=O)c3ccccc3C2=O)c2ccccc2)cc1
InChIInChI=1S/C26H22O3/c1-16(2)17-12-14-19(15-13-17)22(18-8-4-3-5-9-18)26(29)23-24(27)20-10-6-7-11-21(20)25(23)28/h3-16,22-23H,1-2H3/t22-/m1/s1
InChIKeyLTOWHDDMSDCWDE-JOCHJYFZSA-N
XLogP5.21
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.21
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

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
(2S,3E)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one
CID 98046378
(3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one
CID 71312363
2-(2-methylbutanoyl)indene-1,3-dione
CID 70636763
(2R,3Z)-2-(2,2-diphenylacetyl)-3-[(Z)-prop-2-enylidenehydrazinylidene]inden-1-one
CID 98298847
acetic acid;cumene
CID 172767405
1-(2,2-diphenylacetyl)-3-hydrazinylidene-1H-inden-2-one
CID 151340938
cumene;hydrogen peroxide
CID 21225480
azane;cumene;hydrochloride
CID 175202155
cumene
CID 161227923
benzene;cumene
CID 157215889

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione?
The IUPAC name of 2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione (CID 99865070) is 2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione.
What is the SMILES notation for 2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione?
The canonical SMILES for 2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione is CC(C)c1ccc([C@H](C(=O)C2C(=O)c3ccccc3C2=O)c2ccccc2)cc1.
What is the InChIKey of 2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione?
The InChIKey is LTOWHDDMSDCWDE-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H22O3/c1-16(2)17-12-14-19(15-13-17)22(18-8-4-3-5-9-18)26(29)23-24(27)20-10-6-7-11-21(20)25(23)28/h3-16,22-23H,1-2H3/t22-/m1/s1.
What are the key properties of 2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione?
2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione has a molecular weight of 382.46 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione is sourced from PubChem (CID 99865070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).