2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde

C16H16O3 — CID 116810900

IUPAC2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde
SMILESCOc1cccc(OC)c1-c1cc(C)ccc1C=O
InChIInChI=1S/C16H16O3/c1-11-7-8-12(10-17)13(9-11)16-14(18-2)5-4-6-15(16)19-3/h4-10H,1-3H3
InChIKeyBKLQEHOGUQOKGQ-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.49
Rot. Bonds4

About 2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde

2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde (PubChem CID 116810900) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde
PubChem CID116810900
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde
SMILESCOc1cccc(OC)c1-c1cc(C)ccc1C=O
InChIInChI=1S/C16H16O3/c1-11-7-8-12(10-17)13(9-11)16-14(18-2)5-4-6-15(16)19-3/h4-10H,1-3H3
InChIKeyBKLQEHOGUQOKGQ-UHFFFAOYSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.49
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-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
CID 22633129
2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde
CID 83068040
2-(2-hydroxy-6-methylphenyl)-4-methylbenzaldehyde
CID 139758030
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde
CID 175847419
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde
CID 54912502
5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde
CID 15501148
2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde
CID 106681100
2-(2-methoxy-6-methylphenyl)-4-methylphenol
CID 165349659
5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde
CID 54912704
4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde
CID 116810904

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde (CID 116810900) is 2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde is COc1cccc(OC)c1-c1cc(C)ccc1C=O.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde?
The InChIKey is BKLQEHOGUQOKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-7-8-12(10-17)13(9-11)16-14(18-2)5-4-6-15(16)19-3/h4-10H,1-3H3.
What are the key properties of 2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde?
2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde has a molecular weight of 256.30 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde is sourced from PubChem (CID 116810900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).