5-methoxy-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde

C17H15NO3 — CID 10850395

IUPAC5-methoxy-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde
SMILESCOc1ccc(-c2[nH]c3ccc(OC)cc3c2C=O)cc1
InChIInChI=1S/C17H15NO3/c1-20-12-5-3-11(4-6-12)17-15(10-19)14-9-13(21-2)7-8-16(14)18-17/h3-10,18H,1-2H3
InChIKeyKHFBMBBEXQAWTP-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.66
Rot. Bonds4

About 5-methoxy-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde

5-methoxy-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde (PubChem CID 10850395) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-methoxy-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-methoxy-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde
PubChem CID10850395
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name5-methoxy-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde
SMILESCOc1ccc(-c2[nH]c3ccc(OC)cc3c2C=O)cc1
InChIInChI=1S/C17H15NO3/c1-20-12-5-3-11(4-6-12)17-15(10-19)14-9-13(21-2)7-8-16(14)18-17/h3-10,18H,1-2H3
InChIKeyKHFBMBBEXQAWTP-UHFFFAOYSA-N
XLogP3.66
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 5-methoxy-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde (CID 10850395) is 5-methoxy-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-methoxy-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-methoxy-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde is COc1ccc(-c2[nH]c3ccc(OC)cc3c2C=O)cc1.
What is the InChIKey of 5-methoxy-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde?
The InChIKey is KHFBMBBEXQAWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-12-5-3-11(4-6-12)17-15(10-19)14-9-13(21-2)7-8-16(14)18-17/h3-10,18H,1-2H3.
What are the key properties of 5-methoxy-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde?
5-methoxy-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde has a molecular weight of 281.31 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 10850395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).