2-[4-(2,6-dimethylphenyl)naphthalen-1-yl]-2-oxoacetaldehyde

C20H16O2 — CID 88874813

IUPAC2-[4-(2,6-dimethylphenyl)naphthalen-1-yl]-2-oxoacetaldehyde
SMILESCc1cccc(C)c1-c1ccc(C(=O)C=O)c2ccccc12
InChIInChI=1S/C20H16O2/c1-13-6-5-7-14(2)20(13)18-11-10-17(19(22)12-21)15-8-3-4-9-16(15)18/h3-12H,1-2H3
InChIKeyGHBKZIFYEPGOJV-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.51
Rot. Bonds3

About 2-[4-(2,6-dimethylphenyl)naphthalen-1-yl]-2-oxoacetaldehyde

2-[4-(2,6-dimethylphenyl)naphthalen-1-yl]-2-oxoacetaldehyde (PubChem CID 88874813) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylphenyl)naphthalen-1-yl]-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-[4-(2,6-dimethylphenyl)naphthalen-1-yl]-2-oxoacetaldehyde
PubChem CID88874813
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name2-[4-(2,6-dimethylphenyl)naphthalen-1-yl]-2-oxoacetaldehyde
SMILESCc1cccc(C)c1-c1ccc(C(=O)C=O)c2ccccc12
InChIInChI=1S/C20H16O2/c1-13-6-5-7-14(2)20(13)18-11-10-17(19(22)12-21)15-8-3-4-9-16(15)18/h3-12H,1-2H3
InChIKeyGHBKZIFYEPGOJV-UHFFFAOYSA-N
XLogP4.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylphenyl)naphthalen-1-yl]-2-oxoacetaldehyde?
The IUPAC name of 2-[4-(2,6-dimethylphenyl)naphthalen-1-yl]-2-oxoacetaldehyde (CID 88874813) is 2-[4-(2,6-dimethylphenyl)naphthalen-1-yl]-2-oxoacetaldehyde.
What is the SMILES notation for 2-[4-(2,6-dimethylphenyl)naphthalen-1-yl]-2-oxoacetaldehyde?
The canonical SMILES for 2-[4-(2,6-dimethylphenyl)naphthalen-1-yl]-2-oxoacetaldehyde is Cc1cccc(C)c1-c1ccc(C(=O)C=O)c2ccccc12.
What is the InChIKey of 2-[4-(2,6-dimethylphenyl)naphthalen-1-yl]-2-oxoacetaldehyde?
The InChIKey is GHBKZIFYEPGOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2/c1-13-6-5-7-14(2)20(13)18-11-10-17(19(22)12-21)15-8-3-4-9-16(15)18/h3-12H,1-2H3.
What are the key properties of 2-[4-(2,6-dimethylphenyl)naphthalen-1-yl]-2-oxoacetaldehyde?
2-[4-(2,6-dimethylphenyl)naphthalen-1-yl]-2-oxoacetaldehyde has a molecular weight of 288.35 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylphenyl)naphthalen-1-yl]-2-oxoacetaldehyde is sourced from PubChem (CID 88874813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).