4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde

C12H11NO4 — CID 132915513

IUPAC4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde
SMILESCOc1cc(OC)c2cc(C=O)[nH]c2c1C=O
InChIInChI=1S/C12H11NO4/c1-16-10-4-11(17-2)9(6-15)12-8(10)3-7(5-14)13-12/h3-6,13H,1-2H3
InChIKeyNWKAKDSWAOMUBT-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.81
Rot. Bonds4

About 4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde

4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde (PubChem CID 132915513) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde.

Molecular Properties

Compound Name4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde
PubChem CID132915513
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde
SMILESCOc1cc(OC)c2cc(C=O)[nH]c2c1C=O
InChIInChI=1S/C12H11NO4/c1-16-10-4-11(17-2)9(6-15)12-8(10)3-7(5-14)13-12/h3-6,13H,1-2H3
InChIKeyNWKAKDSWAOMUBT-UHFFFAOYSA-N
XLogP1.81
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde
CID 135333306
3-methoxy-6H-furo[2,3-b]pyrrole-5-carbaldehyde
CID 96633557
2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde
CID 3717056
2-(3,4,5-trimethoxyphenyl)-1H-imidazole-5-carbaldehyde
CID 95468133
2,3,5-trimethoxy-6-nitrobenzaldehyde
CID 66545581
4,6-dimethoxy-1-benzofuran-7-carbaldehyde
CID 82396117
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717
2,3-dibromo-5,6-dimethoxybenzaldehyde
CID 7172125
4,6-dimethoxy-3-phenyl-1H-indole-2,7-dicarbaldehyde
CID 86172079
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464
2-bromo-6-fluoro-5,7-dimethoxy-1H-indole-3-carbaldehyde
CID 58004725

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde?
The IUPAC name of 4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde (CID 132915513) is 4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde.
What is the SMILES notation for 4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde?
The canonical SMILES for 4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde is COc1cc(OC)c2cc(C=O)[nH]c2c1C=O.
What is the InChIKey of 4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde?
The InChIKey is NWKAKDSWAOMUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-16-10-4-11(17-2)9(6-15)12-8(10)3-7(5-14)13-12/h3-6,13H,1-2H3.
What are the key properties of 4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde?
4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde has a molecular weight of 233.22 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde is sourced from PubChem (CID 132915513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).