2-(3,4-dimethoxyphenyl)-5-methoxy-4-(methoxymethoxy)-1,3-dimethylindole-7-carbaldehyde

C22H25NO6 — CID 10023856

IUPAC2-(3,4-dimethoxyphenyl)-5-methoxy-4-(methoxymethoxy)-1,3-dimethylindole-7-carbaldehyde
SMILESCOCOc1c(OC)cc(C=O)c2c1c(C)c(-c1ccc(OC)c(OC)c1)n2C
InChIInChI=1S/C22H25NO6/c1-13-19-21(15(11-24)10-18(28-6)22(19)29-12-25-3)23(2)20(13)14-7-8-16(26-4)17(9-14)27-5/h7-11H,12H2,1-6H3
InChIKeyFRKCQBUOLKKOEE-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.97
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(methoxymethoxy)-1,3-dimethylindole-7-carbaldehyde

2-(3,4-dimethoxyphenyl)-5-methoxy-4-(methoxymethoxy)-1,3-dimethylindole-7-carbaldehyde (PubChem CID 10023856) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(methoxymethoxy)-1,3-dimethylindole-7-carbaldehyde.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-methoxy-4-(methoxymethoxy)-1,3-dimethylindole-7-carbaldehyde
PubChem CID10023856
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name2-(3,4-dimethoxyphenyl)-5-methoxy-4-(methoxymethoxy)-1,3-dimethylindole-7-carbaldehyde
SMILESCOCOc1c(OC)cc(C=O)c2c1c(C)c(-c1ccc(OC)c(OC)c1)n2C
InChIInChI=1S/C22H25NO6/c1-13-19-21(15(11-24)10-18(28-6)22(19)29-12-25-3)23(2)20(13)14-7-8-16(26-4)17(9-14)27-5/h7-11H,12H2,1-6H3
InChIKeyFRKCQBUOLKKOEE-UHFFFAOYSA-N
XLogP3.97
TPSA68.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole-7-carbaldehyde
CID 10384461
(E)-3-[5-methoxy-4-(methoxymethoxy)-2-(3-methoxyphenyl)-1,3-dimethylindol-7-yl]-2-methylprop-2-enoic acid
CID 10071054
(E)-3-[5-methoxy-4-(methoxymethoxy)-1,3-dimethyl-2-(2-methylphenyl)indol-7-yl]-2-methylprop-2-enoic acid
CID 10386793
ethyl (E)-3-[5-methoxy-4-(methoxymethoxy)-1,3-dimethyl-2-(2-methylphenyl)indol-7-yl]-2-methylprop-2-enoate
CID 10343027
2,4-bis(methoxymethoxy)-3-methylbenzaldehyde
CID 140672878
5-chloro-3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 104665527
5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole
CID 10065905
3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde
CID 16637937
2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649769
2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde
CID 10488996

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(methoxymethoxy)-1,3-dimethylindole-7-carbaldehyde?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(methoxymethoxy)-1,3-dimethylindole-7-carbaldehyde (CID 10023856) is 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(methoxymethoxy)-1,3-dimethylindole-7-carbaldehyde.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(methoxymethoxy)-1,3-dimethylindole-7-carbaldehyde?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(methoxymethoxy)-1,3-dimethylindole-7-carbaldehyde is COCOc1c(OC)cc(C=O)c2c1c(C)c(-c1ccc(OC)c(OC)c1)n2C.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(methoxymethoxy)-1,3-dimethylindole-7-carbaldehyde?
The InChIKey is FRKCQBUOLKKOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6/c1-13-19-21(15(11-24)10-18(28-6)22(19)29-12-25-3)23(2)20(13)14-7-8-16(26-4)17(9-14)27-5/h7-11H,12H2,1-6H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(methoxymethoxy)-1,3-dimethylindole-7-carbaldehyde?
2-(3,4-dimethoxyphenyl)-5-methoxy-4-(methoxymethoxy)-1,3-dimethylindole-7-carbaldehyde has a molecular weight of 399.44 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-methoxy-4-(methoxymethoxy)-1,3-dimethylindole-7-carbaldehyde is sourced from PubChem (CID 10023856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).