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

C21H23NO5 — CID 10384461

IUPAC5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole-7-carbaldehyde
SMILESCOCOc1c(OC)cc(C=O)c2c1c(C)c(-c1ccccc1OC)n2C
InChIInChI=1S/C21H23NO5/c1-13-18-20(14(11-23)10-17(26-5)21(18)27-12-24-3)22(2)19(13)15-8-6-7-9-16(15)25-4/h6-11H,12H2,1-5H3
InChIKeyASWXMSMTIPMPLI-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.97
Rot. Bonds7

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

5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole-7-carbaldehyde (PubChem CID 10384461) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole-7-carbaldehyde.

Molecular Properties

Compound Name5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole-7-carbaldehyde
PubChem CID10384461
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole-7-carbaldehyde
SMILESCOCOc1c(OC)cc(C=O)c2c1c(C)c(-c1ccccc1OC)n2C
InChIInChI=1S/C21H23NO5/c1-13-18-20(14(11-23)10-17(26-5)21(18)27-12-24-3)22(2)19(13)15-8-6-7-9-16(15)25-4/h6-11H,12H2,1-5H3
InChIKeyASWXMSMTIPMPLI-UHFFFAOYSA-N
XLogP3.97
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-(3,4-dimethoxyphenyl)-5-methoxy-4-(methoxymethoxy)-1,3-dimethylindole-7-carbaldehyde
CID 10023856
(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
5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole
CID 10065905
(E)-3-[5-methoxy-4-(methoxymethoxy)-2-(3-methoxyphenyl)-1,3-dimethylindol-7-yl]-2-methylprop-2-enoic acid
CID 10071054
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649769
5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649732
5-chloro-3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 104665527
3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820
2,4-bis(methoxymethoxy)-3-methylbenzaldehyde
CID 140672878
ethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
CID 10425877

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole-7-carbaldehyde?
The IUPAC name of 5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole-7-carbaldehyde (CID 10384461) is 5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole-7-carbaldehyde.
What is the SMILES notation for 5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole-7-carbaldehyde?
The canonical SMILES for 5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole-7-carbaldehyde is COCOc1c(OC)cc(C=O)c2c1c(C)c(-c1ccccc1OC)n2C.
What is the InChIKey of 5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole-7-carbaldehyde?
The InChIKey is ASWXMSMTIPMPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-13-18-20(14(11-23)10-17(26-5)21(18)27-12-24-3)22(2)19(13)15-8-6-7-9-16(15)25-4/h6-11H,12H2,1-5H3.
What are the key properties of 5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole-7-carbaldehyde?
5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole-7-carbaldehyde has a molecular weight of 369.42 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole-7-carbaldehyde is sourced from PubChem (CID 10384461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).