5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde

C17H18O3 — CID 82038968

IUPAC5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde
SMILESCOc1cc(-c2c(C)cccc2C)cc(C=O)c1OC
InChIInChI=1S/C17H18O3/c1-11-6-5-7-12(2)16(11)13-8-14(10-18)17(20-4)15(9-13)19-3/h5-10H,1-4H3
InChIKeyAOOOJQAOTJMACU-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.80
Rot. Bonds4

About 5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde

5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde (PubChem CID 82038968) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde
PubChem CID82038968
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde
SMILESCOc1cc(-c2c(C)cccc2C)cc(C=O)c1OC
InChIInChI=1S/C17H18O3/c1-11-6-5-7-12(2)16(11)13-8-14(10-18)17(20-4)15(9-13)19-3/h5-10H,1-4H3
InChIKeyAOOOJQAOTJMACU-UHFFFAOYSA-N
XLogP3.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032
2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde
CID 175847419
2-methoxy-3-methyl-5-(2-methylphenyl)benzaldehyde
CID 171919508
2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 82039765
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde
CID 39226788
5-bromo-2-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683877
5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde
CID 82039787
1,4,9,10-tetramethoxyanthracene-2-carbaldehyde
CID 15089323
2-methoxy-3-(2-methylphenoxy)benzaldehyde
CID 13066662
2,4-dimethoxy-3-(5-methylnaphthalen-1-yl)benzaldehyde;ethane
CID 170588240
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde
CID 82039986

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde?
The IUPAC name of 5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde (CID 82038968) is 5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde.
What is the SMILES notation for 5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde?
The canonical SMILES for 5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde is COc1cc(-c2c(C)cccc2C)cc(C=O)c1OC.
What is the InChIKey of 5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde?
The InChIKey is AOOOJQAOTJMACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11-6-5-7-12(2)16(11)13-8-14(10-18)17(20-4)15(9-13)19-3/h5-10H,1-4H3.
What are the key properties of 5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde?
5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde has a molecular weight of 270.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde is sourced from PubChem (CID 82038968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).