2-[2,3,4-trimethoxy-5-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde

C20H21NO5 — CID 141043724

IUPAC2-[2,3,4-trimethoxy-5-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde
SMILESCOc1ccc2[nH]c(-c3cc(CC=O)c(OC)c(OC)c3OC)cc2c1
InChIInChI=1S/C20H21NO5/c1-23-14-5-6-16-13(9-14)11-17(21-16)15-10-12(7-8-22)18(24-2)20(26-4)19(15)25-3/h5-6,8-11,21H,7H2,1-4H3
InChIKeyAGIFPDRIHMKJJK-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.61
Rot. Bonds7

About 2-[2,3,4-trimethoxy-5-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde

2-[2,3,4-trimethoxy-5-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde (PubChem CID 141043724) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[2,3,4-trimethoxy-5-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2,3,4-trimethoxy-5-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde
PubChem CID141043724
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name2-[2,3,4-trimethoxy-5-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde
SMILESCOc1ccc2[nH]c(-c3cc(CC=O)c(OC)c(OC)c3OC)cc2c1
InChIInChI=1S/C20H21NO5/c1-23-14-5-6-16-13(9-14)11-17(21-16)15-10-12(7-8-22)18(24-2)20(26-4)19(15)25-3/h5-6,8-11,21H,7H2,1-4H3
InChIKeyAGIFPDRIHMKJJK-UHFFFAOYSA-N
XLogP3.61
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.61
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-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde
CID 141043717
2-(2-bromophenyl)-5-methoxy-1H-indole
CID 131887178
N-[2-(5-methoxy-1H-indol-2-yl)phenyl]acetamide
CID 10731437
5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole
CID 135496116
5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole
CID 66573117
2-(6-ethyl-1H-indol-2-yl)-5-methoxy-1H-indole
CID 144993445
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
2-(2-chloro-4-methoxyphenyl)acetaldehyde
CID 55274760
2-(2-iodo-5-methoxyphenyl)acetaldehyde
CID 18627927
5-methoxy-1H-indole-2-thiol
CID 119094198
2-ethenyl-5-methoxy-1H-indole
CID 11844226
2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde
CID 57172465

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,4-trimethoxy-5-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde?
The IUPAC name of 2-[2,3,4-trimethoxy-5-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde (CID 141043724) is 2-[2,3,4-trimethoxy-5-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2,3,4-trimethoxy-5-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde?
The canonical SMILES for 2-[2,3,4-trimethoxy-5-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde is COc1ccc2[nH]c(-c3cc(CC=O)c(OC)c(OC)c3OC)cc2c1.
What is the InChIKey of 2-[2,3,4-trimethoxy-5-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde?
The InChIKey is AGIFPDRIHMKJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-23-14-5-6-16-13(9-14)11-17(21-16)15-10-12(7-8-22)18(24-2)20(26-4)19(15)25-3/h5-6,8-11,21H,7H2,1-4H3.
What are the key properties of 2-[2,3,4-trimethoxy-5-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde?
2-[2,3,4-trimethoxy-5-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde has a molecular weight of 355.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,4-trimethoxy-5-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde is sourced from PubChem (CID 141043724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).