2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione

C25H22O2 — CID 4065719

IUPAC2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione
SMILESCC(C)c1ccccc1C(c1ccccc1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H22O2/c1-16(2)18-12-6-7-13-19(18)22(17-10-4-3-5-11-17)23-24(26)20-14-8-9-15-21(20)25(23)27/h3-16,22-23H,1-2H3
InChIKeyYOFLIYRPGWQSCO-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.64
Rot. Bonds4

About 2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione

2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione (PubChem CID 4065719) has the molecular formula C25H22O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione.

Molecular Properties

Compound Name2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione
PubChem CID4065719
Molecular FormulaC25H22O2
Molecular Weight354.45 g/mol
Exact Mass354.16
IUPAC Name2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione
SMILESCC(C)c1ccccc1C(c1ccccc1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H22O2/c1-16(2)18-12-6-7-13-19(18)22(17-10-4-3-5-11-17)23-24(26)20-14-8-9-15-21(20)25(23)27/h3-16,22-23H,1-2H3
InChIKeyYOFLIYRPGWQSCO-UHFFFAOYSA-N
XLogP5.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(S)-(2,4-dimethylphenyl)-phenylmethyl]indene-1,3-dione
CID 1377907
2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione
CID 129384522
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
2-[(1R)-3-oxo-1-phenylbutyl]indene-1,3-dione
CID 98056346
2-(3-oxo-1-phenylbutyl)indene-1,3-dione
CID 519483
2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione
CID 102496981
2-[(2R)-2-phenyl-2-(4-propan-2-ylphenyl)acetyl]indene-1,3-dione
CID 99865070
1,2-di(propan-2-yl)benzene;1-sulfanylethanol
CID 174932639
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
2-[(1R)-4,4-dimethyl-3-oxo-1-phenylpentyl]indene-1,3-dione
CID 793748
benzene;cumene
CID 157215889
cumene
CID 161227923

Frequently Asked Questions

What is the IUPAC name of 2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione?
The IUPAC name of 2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione (CID 4065719) is 2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione.
What is the SMILES notation for 2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione?
The canonical SMILES for 2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione is CC(C)c1ccccc1C(c1ccccc1)C1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione?
The InChIKey is YOFLIYRPGWQSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O2/c1-16(2)18-12-6-7-13-19(18)22(17-10-4-3-5-11-17)23-24(26)20-14-8-9-15-21(20)25(23)27/h3-16,22-23H,1-2H3.
What are the key properties of 2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione?
2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione has a molecular weight of 354.45 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione is sourced from PubChem (CID 4065719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).