2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde

C19H22O — CID 14915375

IUPAC2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde
SMILESCc1cc(C)c(-c2c(C)cc(C)c(C=O)c2C)c(C)c1
InChIInChI=1S/C19H22O/c1-11-7-13(3)18(14(4)8-11)19-15(5)9-12(2)17(10-20)16(19)6/h7-10H,1-6H3
InChIKeyVURSSTOJGASYKR-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.02
Rot. Bonds2

About 2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde

2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde (PubChem CID 14915375) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde.

Molecular Properties

Compound Name2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde
PubChem CID14915375
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde
SMILESCc1cc(C)c(-c2c(C)cc(C)c(C=O)c2C)c(C)c1
InChIInChI=1S/C19H22O/c1-11-7-13(3)18(14(4)8-11)19-15(5)9-12(2)17(10-20)16(19)6/h7-10H,1-6H3
InChIKeyVURSSTOJGASYKR-UHFFFAOYSA-N
XLogP5.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.02
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 2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde?
The IUPAC name of 2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde (CID 14915375) is 2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde.
What is the SMILES notation for 2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde?
The canonical SMILES for 2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde is Cc1cc(C)c(-c2c(C)cc(C)c(C=O)c2C)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde?
The InChIKey is VURSSTOJGASYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-11-7-13(3)18(14(4)8-11)19-15(5)9-12(2)17(10-20)16(19)6/h7-10H,1-6H3.
What are the key properties of 2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde?
2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde has a molecular weight of 266.38 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde is sourced from PubChem (CID 14915375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).