2-(3-oxo-1-phenyl-1,2-dihydroinden-2-yl)acetaldehyde

C17H14O2 — CID 57065889

IUPAC2-(3-oxo-1-phenyl-1,2-dihydroinden-2-yl)acetaldehyde
SMILESO=CCC1C(=O)c2ccccc2C1c1ccccc1
InChIInChI=1S/C17H14O2/c18-11-10-15-16(12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(15)19/h1-9,11,15-16H,10H2
InChIKeyQDKCKVTUMDXOEQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.22
Rot. Bonds3

About 2-(3-oxo-1-phenyl-1,2-dihydroinden-2-yl)acetaldehyde

2-(3-oxo-1-phenyl-1,2-dihydroinden-2-yl)acetaldehyde (PubChem CID 57065889) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(3-oxo-1-phenyl-1,2-dihydroinden-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-oxo-1-phenyl-1,2-dihydroinden-2-yl)acetaldehyde
PubChem CID57065889
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name2-(3-oxo-1-phenyl-1,2-dihydroinden-2-yl)acetaldehyde
SMILESO=CCC1C(=O)c2ccccc2C1c1ccccc1
InChIInChI=1S/C17H14O2/c18-11-10-15-16(12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(15)19/h1-9,11,15-16H,10H2
InChIKeyQDKCKVTUMDXOEQ-UHFFFAOYSA-N
XLogP3.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-oxo-1-phenyl-1,2-dihydroinden-2-yl)acetaldehyde 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

(2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one
CID 53475427
2-methoxy-3-phenyl-2,3-dihydroinden-1-one
CID 21322030
2-(1,3-dioxoinden-2-yl)acetaldehyde
CID 170000010
8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 14617627
4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one
CID 132948263
2-[(4-chlorophenyl)iminomethyl]-3-phenyl-2,3-dihydroinden-1-one
CID 170912300
2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile
CID 23465642
1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one
CID 86001889
(2R,3S)-2-ethenyl-3-phenyl-2,3-dihydrochromen-4-one
CID 15043727
N-(1-ethyl-3-oxo-1,2-dihydroinden-2-yl)formamide
CID 121007382
1-methyl-3-phenyl-2,3-dihydro-1H-isoquinolin-4-one
CID 20720956
5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione
CID 139635069

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1-phenyl-1,2-dihydroinden-2-yl)acetaldehyde?
The IUPAC name of 2-(3-oxo-1-phenyl-1,2-dihydroinden-2-yl)acetaldehyde (CID 57065889) is 2-(3-oxo-1-phenyl-1,2-dihydroinden-2-yl)acetaldehyde.
What is the SMILES notation for 2-(3-oxo-1-phenyl-1,2-dihydroinden-2-yl)acetaldehyde?
The canonical SMILES for 2-(3-oxo-1-phenyl-1,2-dihydroinden-2-yl)acetaldehyde is O=CCC1C(=O)c2ccccc2C1c1ccccc1.
What is the InChIKey of 2-(3-oxo-1-phenyl-1,2-dihydroinden-2-yl)acetaldehyde?
The InChIKey is QDKCKVTUMDXOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c18-11-10-15-16(12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(15)19/h1-9,11,15-16H,10H2.
What are the key properties of 2-(3-oxo-1-phenyl-1,2-dihydroinden-2-yl)acetaldehyde?
2-(3-oxo-1-phenyl-1,2-dihydroinden-2-yl)acetaldehyde has a molecular weight of 250.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1-phenyl-1,2-dihydroinden-2-yl)acetaldehyde is sourced from PubChem (CID 57065889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).