5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde

C16H16O4 — CID 116810898

IUPAC5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
SMILESCOc1ccc(-c2c(OC)cccc2OC)cc1C=O
InChIInChI=1S/C16H16O4/c1-18-13-8-7-11(9-12(13)10-17)16-14(19-2)5-4-6-15(16)20-3/h4-10H,1-3H3
InChIKeySLTCWNHRDJZLGN-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.19
Rot. Bonds5

About 5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde

5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde (PubChem CID 116810898) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
PubChem CID116810898
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
SMILESCOc1ccc(-c2c(OC)cccc2OC)cc1C=O
InChIInChI=1S/C16H16O4/c1-18-13-8-7-11(9-12(13)10-17)16-14(19-2)5-4-6-15(16)20-3/h4-10H,1-3H3
InChIKeySLTCWNHRDJZLGN-UHFFFAOYSA-N
XLogP3.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.19
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

2-methoxy-5-(2,3,4,6-tetrachlorophenyl)benzaldehyde
CID 105350008
5-(3-bromophenyl)-2-methoxybenzaldehyde
CID 115503832
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
5-(4-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 74891133
5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde
CID 54912342
5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde
CID 82038968
2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde
CID 161122515
5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde
CID 107360530
2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde
CID 63157778
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314
2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde
CID 175847419

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde (CID 116810898) is 5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde is COc1ccc(-c2c(OC)cccc2OC)cc1C=O.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde?
The InChIKey is SLTCWNHRDJZLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-18-13-8-7-11(9-12(13)10-17)16-14(19-2)5-4-6-15(16)20-3/h4-10H,1-3H3.
What are the key properties of 5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde?
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde has a molecular weight of 272.30 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde is sourced from PubChem (CID 116810898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).