2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde

C16H16O2 — CID 106681100

IUPAC2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde
SMILESCOc1cc(C)cc(C)c1-c1ccccc1C=O
InChIInChI=1S/C16H16O2/c1-11-8-12(2)16(15(9-11)18-3)14-7-5-4-6-13(14)10-17/h4-10H,1-3H3
InChIKeyDDAVOKPANHYHJS-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.79
Rot. Bonds3

About 2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde

2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde (PubChem CID 106681100) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde
PubChem CID106681100
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde
SMILESCOc1cc(C)cc(C)c1-c1ccccc1C=O
InChIInChI=1S/C16H16O2/c1-11-8-12(2)16(15(9-11)18-3)14-7-5-4-6-13(14)10-17/h4-10H,1-3H3
InChIKeyDDAVOKPANHYHJS-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxy-4,6-dimethylphenyl)benzaldehyde?
The IUPAC name of 2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde (CID 106681100) is 2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde.
What is the SMILES notation for 2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde?
The canonical SMILES for 2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde is COc1cc(C)cc(C)c1-c1ccccc1C=O.
What is the InChIKey of 2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde?
The InChIKey is DDAVOKPANHYHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-8-12(2)16(15(9-11)18-3)14-7-5-4-6-13(14)10-17/h4-10H,1-3H3.
What are the key properties of 2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde?
2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde has a molecular weight of 240.30 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde is sourced from PubChem (CID 106681100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).