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'}

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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).