2,6-dimethyl-4-(2-methylphenyl)benzaldehyde

C16H16O — CID 172876936

IUPAC2,6-dimethyl-4-(2-methylphenyl)benzaldehyde
SMILESCc1ccccc1-c1cc(C)c(C=O)c(C)c1
InChIInChI=1S/C16H16O/c1-11-6-4-5-7-15(11)14-8-12(2)16(10-17)13(3)9-14/h4-10H,1-3H3
InChIKeyFESFACUXLCRLIT-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.09
Rot. Bonds2

About 2,6-dimethyl-4-(2-methylphenyl)benzaldehyde

2,6-dimethyl-4-(2-methylphenyl)benzaldehyde (PubChem CID 172876936) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-methylphenyl)benzaldehyde
PubChem CID172876936
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name2,6-dimethyl-4-(2-methylphenyl)benzaldehyde
SMILESCc1ccccc1-c1cc(C)c(C=O)c(C)c1
InChIInChI=1S/C16H16O/c1-11-6-4-5-7-15(11)14-8-12(2)16(10-17)13(3)9-14/h4-10H,1-3H3
InChIKeyFESFACUXLCRLIT-UHFFFAOYSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-3-methyl-5-(2-methylphenyl)benzaldehyde
CID 171919508
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659
2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde
CID 172876941
2,6-dimethylbenzaldehyde
CID 159545887
1,3-dimethyl-5-(2-methylphenyl)benzene
CID 12639839
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876946
2-methyl-4-(2-methylphenyl)furan-3-carbaldehyde
CID 150793274
2-chloro-4-(2-methylphenyl)pyridine-3-carbaldehyde
CID 86223770
1,3-dimethoxy-5-(2-methylphenyl)benzene
CID 86038743
5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde
CID 3776362
1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde
CID 84679810
3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde
CID 150115001

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-methylphenyl)benzaldehyde?
The IUPAC name of 2,6-dimethyl-4-(2-methylphenyl)benzaldehyde (CID 172876936) is 2,6-dimethyl-4-(2-methylphenyl)benzaldehyde.
What is the SMILES notation for 2,6-dimethyl-4-(2-methylphenyl)benzaldehyde?
The canonical SMILES for 2,6-dimethyl-4-(2-methylphenyl)benzaldehyde is Cc1ccccc1-c1cc(C)c(C=O)c(C)c1.
What is the InChIKey of 2,6-dimethyl-4-(2-methylphenyl)benzaldehyde?
The InChIKey is FESFACUXLCRLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-11-6-4-5-7-15(11)14-8-12(2)16(10-17)13(3)9-14/h4-10H,1-3H3.
What are the key properties of 2,6-dimethyl-4-(2-methylphenyl)benzaldehyde?
2,6-dimethyl-4-(2-methylphenyl)benzaldehyde has a molecular weight of 224.30 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-methylphenyl)benzaldehyde is sourced from PubChem (CID 172876936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).