2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde

C20H18O — CID 88526025

IUPAC2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde
SMILESCc1cc(C)c(-c2ccc3ccccc3c2C=O)c(C)c1
InChIInChI=1S/C20H18O/c1-13-10-14(2)20(15(3)11-13)18-9-8-16-6-4-5-7-17(16)19(18)12-21/h4-12H,1-3H3
InChIKeyZCEAPUFPDBCSTK-UHFFFAOYSA-N
MW274.36 g/mol
LogP5.24
Rot. Bonds2

About 2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde

2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde (PubChem CID 88526025) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde
PubChem CID88526025
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde
SMILESCc1cc(C)c(-c2ccc3ccccc3c2C=O)c(C)c1
InChIInChI=1S/C20H18O/c1-13-10-14(2)20(15(3)11-13)18-9-8-16-6-4-5-7-17(16)19(18)12-21/h4-12H,1-3H3
InChIKeyZCEAPUFPDBCSTK-UHFFFAOYSA-N
XLogP5.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.36
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde (CID 88526025) is 2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde is Cc1cc(C)c(-c2ccc3ccccc3c2C=O)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde?
The InChIKey is ZCEAPUFPDBCSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c1-13-10-14(2)20(15(3)11-13)18-9-8-16-6-4-5-7-17(16)19(18)12-21/h4-12H,1-3H3.
What are the key properties of 2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde?
2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde has a molecular weight of 274.36 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 88526025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).