2-[2-(3-methylphenyl)-3H-inden-1-yl]-2,3-dihydroinden-1-one

C25H20O — CID 135062926

IUPAC2-[2-(3-methylphenyl)-3H-inden-1-yl]-2,3-dihydroinden-1-one
SMILESCc1cccc(C2=C(C3Cc4ccccc4C3=O)c3ccccc3C2)c1
InChIInChI=1S/C25H20O/c1-16-7-6-10-17(13-16)22-14-18-8-2-4-11-20(18)24(22)23-15-19-9-3-5-12-21(19)25(23)26/h2-13,23H,14-15H2,1H3
InChIKeyJXYFOEHRIILEED-UHFFFAOYSA-N
MW336.43 g/mol
LogP5.52
Rot. Bonds2

About 2-[2-(3-methylphenyl)-3H-inden-1-yl]-2,3-dihydroinden-1-one

2-[2-(3-methylphenyl)-3H-inden-1-yl]-2,3-dihydroinden-1-one (PubChem CID 135062926) has the molecular formula C25H20O and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)-3H-inden-1-yl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)-3H-inden-1-yl]-2,3-dihydroinden-1-one
PubChem CID135062926
Molecular FormulaC25H20O
Molecular Weight336.43 g/mol
Exact Mass336.15
IUPAC Name2-[2-(3-methylphenyl)-3H-inden-1-yl]-2,3-dihydroinden-1-one
SMILESCc1cccc(C2=C(C3Cc4ccccc4C3=O)c3ccccc3C2)c1
InChIInChI=1S/C25H20O/c1-16-7-6-10-17(13-16)22-14-18-8-2-4-11-20(18)24(22)23-15-19-9-3-5-12-21(19)25(23)26/h2-13,23H,14-15H2,1H3
InChIKeyJXYFOEHRIILEED-UHFFFAOYSA-N
XLogP5.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-[2-(3-methylphenyl)-3H-inden-1-yl]-2,3-dihydroinden-1-one 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-(3-methylphenyl)sulfonyl-2,3-dihydroinden-1-one
CID 156787077
1-[3-(3-methylphenyl)phenyl]-9H-fluorene
CID 159755340
(2S)-2-methyl-2,3-dihydroinden-1-one
CID 6994407
3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-amine
CID 18785891
2-(3H-inden-1-yl)-2,3-dihydroinden-1-one
CID 44721009
2,6-bis(3-methylphenyl)pyran-4-one
CID 73055523
2,3-bis(3-methylphenyl)fluoren-9-one
CID 102493573
ethane;4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one
CID 166479863
N,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine
CID 3068648
(2R)-2-hydroxy-2,3-dihydroinden-1-one
CID 11137320
2-(3-methylphenyl)phenol
CID 11206198
5-bromo-3-butyl-4-(3-methylphenyl)-1H-3-benzazepin-2-one
CID 46702761

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)-3H-inden-1-yl]-2,3-dihydroinden-1-one?
The IUPAC name of 2-[2-(3-methylphenyl)-3H-inden-1-yl]-2,3-dihydroinden-1-one (CID 135062926) is 2-[2-(3-methylphenyl)-3H-inden-1-yl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-[2-(3-methylphenyl)-3H-inden-1-yl]-2,3-dihydroinden-1-one?
The canonical SMILES for 2-[2-(3-methylphenyl)-3H-inden-1-yl]-2,3-dihydroinden-1-one is Cc1cccc(C2=C(C3Cc4ccccc4C3=O)c3ccccc3C2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)-3H-inden-1-yl]-2,3-dihydroinden-1-one?
The InChIKey is JXYFOEHRIILEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O/c1-16-7-6-10-17(13-16)22-14-18-8-2-4-11-20(18)24(22)23-15-19-9-3-5-12-21(19)25(23)26/h2-13,23H,14-15H2,1H3.
What are the key properties of 2-[2-(3-methylphenyl)-3H-inden-1-yl]-2,3-dihydroinden-1-one?
2-[2-(3-methylphenyl)-3H-inden-1-yl]-2,3-dihydroinden-1-one has a molecular weight of 336.43 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)-3H-inden-1-yl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 135062926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).