1,4,9,10-tetramethoxyanthracene-2-carbaldehyde

C19H18O5 — CID 15089323

IUPAC1,4,9,10-tetramethoxyanthracene-2-carbaldehyde
SMILESCOc1cc(C=O)c(OC)c2c(OC)c3ccccc3c(OC)c12
InChIInChI=1S/C19H18O5/c1-21-14-9-11(10-20)17(22-2)16-15(14)18(23-3)12-7-5-6-8-13(12)19(16)24-4/h5-10H,1-4H3
InChIKeyDLBJCUYMHWMGDM-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.84
Rot. Bonds5

About 1,4,9,10-tetramethoxyanthracene-2-carbaldehyde

1,4,9,10-tetramethoxyanthracene-2-carbaldehyde (PubChem CID 15089323) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is 1,4,9,10-tetramethoxyanthracene-2-carbaldehyde.

Molecular Properties

Compound Name1,4,9,10-tetramethoxyanthracene-2-carbaldehyde
PubChem CID15089323
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name1,4,9,10-tetramethoxyanthracene-2-carbaldehyde
SMILESCOc1cc(C=O)c(OC)c2c(OC)c3ccccc3c(OC)c12
InChIInChI=1S/C19H18O5/c1-21-14-9-11(10-20)17(22-2)16-15(14)18(23-3)12-7-5-6-8-13(12)19(16)24-4/h5-10H,1-4H3
InChIKeyDLBJCUYMHWMGDM-UHFFFAOYSA-N
XLogP3.84
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2,4,5-trimethoxybenzaldehyde
CID 117275489
1,2-dimethoxy-9-oxoxanthene-4-carbaldehyde
CID 71664197
2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032
10-methoxyanthracene-1-carbaldehyde
CID 139642405
5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde
CID 82039787
5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde
CID 82038968
2-benzyl-6,7-dimethoxy-1-benzofuran-4-carbaldehyde
CID 22180849
3-hydroxy-5-methoxynaphthalene-1-carbaldehyde
CID 142644452
[5-formyl-2,3-dimethoxy-6-(methyl-λ2-stannanyl)phenyl]-methyltin
CID 174370211
5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde
CID 117298695
2-methoxy-3-naphthalen-1-ylbenzaldehyde
CID 10879893
2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde
CID 39226788

Frequently Asked Questions

What is the IUPAC name of 1,4,9,10-tetramethoxyanthracene-2-carbaldehyde?
The IUPAC name of 1,4,9,10-tetramethoxyanthracene-2-carbaldehyde (CID 15089323) is 1,4,9,10-tetramethoxyanthracene-2-carbaldehyde.
What is the SMILES notation for 1,4,9,10-tetramethoxyanthracene-2-carbaldehyde?
The canonical SMILES for 1,4,9,10-tetramethoxyanthracene-2-carbaldehyde is COc1cc(C=O)c(OC)c2c(OC)c3ccccc3c(OC)c12.
What is the InChIKey of 1,4,9,10-tetramethoxyanthracene-2-carbaldehyde?
The InChIKey is DLBJCUYMHWMGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-21-14-9-11(10-20)17(22-2)16-15(14)18(23-3)12-7-5-6-8-13(12)19(16)24-4/h5-10H,1-4H3.
What are the key properties of 1,4,9,10-tetramethoxyanthracene-2-carbaldehyde?
1,4,9,10-tetramethoxyanthracene-2-carbaldehyde has a molecular weight of 326.35 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,9,10-tetramethoxyanthracene-2-carbaldehyde is sourced from PubChem (CID 15089323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).