2,6-dimethoxy-4-propoxybenzaldehyde

C12H16O4 — CID 138453658

IUPAC2,6-dimethoxy-4-propoxybenzaldehyde
SMILESCCCOc1cc(OC)c(C=O)c(OC)c1
InChIInChI=1S/C12H16O4/c1-4-5-16-9-6-11(14-2)10(8-13)12(7-9)15-3/h6-8H,4-5H2,1-3H3
InChIKeyYBLFMGLCEGWHHM-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.31
Rot. Bonds6

About 2,6-dimethoxy-4-propoxybenzaldehyde

2,6-dimethoxy-4-propoxybenzaldehyde (PubChem CID 138453658) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,6-dimethoxy-4-propoxybenzaldehyde.

Molecular Properties

Compound Name2,6-dimethoxy-4-propoxybenzaldehyde
PubChem CID138453658
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2,6-dimethoxy-4-propoxybenzaldehyde
SMILESCCCOc1cc(OC)c(C=O)c(OC)c1
InChIInChI=1S/C12H16O4/c1-4-5-16-9-6-11(14-2)10(8-13)12(7-9)15-3/h6-8H,4-5H2,1-3H3
InChIKeyYBLFMGLCEGWHHM-UHFFFAOYSA-N
XLogP2.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-formyl-3,5-dimethoxyphenoxy)butanoate
CID 7006644
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
2,5-dimethoxy-4-propoxybenzaldehyde
CID 614240
6-bromo-3-methoxy-2-propoxybenzaldehyde
CID 66529298
2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde
CID 90687309
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760
2-fluoro-4-methoxy-5-propoxybenzaldehyde
CID 22145775
2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde
CID 90458250
lithium (2,4,6-tripropoxyphenyl)phosphanide
CID 141016001
lithium 2-methanidyl-4,6-dimethoxybenzaldehyde
CID 10103889
2-(3-ethylsulfonylpropoxy)-4-propoxybenzaldehyde
CID 65092966
N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 43472507

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-propoxybenzaldehyde?
The IUPAC name of 2,6-dimethoxy-4-propoxybenzaldehyde (CID 138453658) is 2,6-dimethoxy-4-propoxybenzaldehyde.
What is the SMILES notation for 2,6-dimethoxy-4-propoxybenzaldehyde?
The canonical SMILES for 2,6-dimethoxy-4-propoxybenzaldehyde is CCCOc1cc(OC)c(C=O)c(OC)c1.
What is the InChIKey of 2,6-dimethoxy-4-propoxybenzaldehyde?
The InChIKey is YBLFMGLCEGWHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-5-16-9-6-11(14-2)10(8-13)12(7-9)15-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 2,6-dimethoxy-4-propoxybenzaldehyde?
2,6-dimethoxy-4-propoxybenzaldehyde has a molecular weight of 224.26 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-propoxybenzaldehyde is sourced from PubChem (CID 138453658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).