2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde

C16H16O4 — CID 82039032

IUPAC2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2cc(C=O)c(OC)c(OC)c2)cc1
InChIInChI=1S/C16H16O4/c1-18-14-6-4-11(5-7-14)12-8-13(10-17)16(20-3)15(9-12)19-2/h4-10H,1-3H3
InChIKeyVQSYUQAHABVXDI-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.19
Rot. Bonds5

About 2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde

2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde (PubChem CID 82039032) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
PubChem CID82039032
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2cc(C=O)c(OC)c(OC)c2)cc1
InChIInChI=1S/C16H16O4/c1-18-14-6-4-11(5-7-14)12-8-13(10-17)16(20-3)15(9-12)19-2/h4-10H,1-3H3
InChIKeyVQSYUQAHABVXDI-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

3-methoxy-5-(4-methoxyphenyl)-2-nitrosobenzaldehyde
CID 118874173
5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde
CID 82038968
2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde
CID 39226788
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
CID 126672991
1,4,9,10-tetramethoxyanthracene-2-carbaldehyde
CID 15089323
2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 82039765
5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde
CID 82039787
3-fluoro-2,4,5-trimethoxybenzaldehyde
CID 117275489
3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
CID 46185200
4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 59430230
2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde
CID 161122515
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde?
The IUPAC name of 2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde (CID 82039032) is 2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde.
What is the SMILES notation for 2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde?
The canonical SMILES for 2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde is COc1ccc(-c2cc(C=O)c(OC)c(OC)c2)cc1.
What is the InChIKey of 2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde?
The InChIKey is VQSYUQAHABVXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-18-14-6-4-11(5-7-14)12-8-13(10-17)16(20-3)15(9-12)19-2/h4-10H,1-3H3.
What are the key properties of 2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde?
2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde 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 2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde is sourced from PubChem (CID 82039032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).