5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde

C19H17NO5 — CID 10830916

IUPAC5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde
SMILESCOc1ccc(-c2[nH]c3c(OC)cc(OC)c(C=O)c3c2C=O)cc1
InChIInChI=1S/C19H17NO5/c1-23-12-6-4-11(5-7-12)18-14(10-22)17-13(9-21)15(24-2)8-16(25-3)19(17)20-18/h4-10,20H,1-3H3
InChIKeyMPEWIOKYGIKNNP-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.49
Rot. Bonds6

About 5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde

5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde (PubChem CID 10830916) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde.

Molecular Properties

Compound Name5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde
PubChem CID10830916
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde
SMILESCOc1ccc(-c2[nH]c3c(OC)cc(OC)c(C=O)c3c2C=O)cc1
InChIInChI=1S/C19H17NO5/c1-23-12-6-4-11(5-7-12)18-14(10-22)17-13(9-21)15(24-2)8-16(25-3)19(17)20-18/h4-10,20H,1-3H3
InChIKeyMPEWIOKYGIKNNP-UHFFFAOYSA-N
XLogP3.49
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde
CID 3717056
2-(4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde
CID 3450774
2-(4-methoxyphenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde
CID 4595555
7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 5225215
4,6-dimethoxy-3-phenyl-1H-indole-2,7-dicarbaldehyde
CID 86172079
4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylbenzaldehyde
CID 139087650
4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde
CID 132915513
2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde
CID 135055450
2-(3-chloro-4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde
CID 3817524
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354
2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032
2,4-diiodo-6-methoxybenzaldehyde
CID 119011495

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde?
The IUPAC name of 5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde (CID 10830916) is 5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde.
What is the SMILES notation for 5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde?
The canonical SMILES for 5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde is COc1ccc(-c2[nH]c3c(OC)cc(OC)c(C=O)c3c2C=O)cc1.
What is the InChIKey of 5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde?
The InChIKey is MPEWIOKYGIKNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-23-12-6-4-11(5-7-12)18-14(10-22)17-13(9-21)15(24-2)8-16(25-3)19(17)20-18/h4-10,20H,1-3H3.
What are the key properties of 5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde?
5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde has a molecular weight of 339.35 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde is sourced from PubChem (CID 10830916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).