1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde

C14H17NO3 — CID 102911359

IUPAC1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde
SMILESCOCCOCCn1ccc2ccc(C=O)cc21
InChIInChI=1S/C14H17NO3/c1-17-8-9-18-7-6-15-5-4-13-3-2-12(11-16)10-14(13)15/h2-5,10-11H,6-9H2,1H3
InChIKeyVYNICIRPQJTVOW-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.12
Rot. Bonds7

About 1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde

1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde (PubChem CID 102911359) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde
PubChem CID102911359
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde
SMILESCOCCOCCn1ccc2ccc(C=O)cc21
InChIInChI=1S/C14H17NO3/c1-17-8-9-18-7-6-15-5-4-13-3-2-12(11-16)10-14(13)15/h2-5,10-11H,6-9H2,1H3
InChIKeyVYNICIRPQJTVOW-UHFFFAOYSA-N
XLogP2.12
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxybutyl)indole-6-carbaldehyde
CID 102910948
1-butylindole-6-carbaldehyde
CID 102910960
1-(5-hydroxypentyl)indole-6-carbaldehyde
CID 102911097
1-(3-hydroxypropyl)indole-6-carbaldehyde
CID 102911092
1-[3-(dimethylamino)propyl]indole-6-carbaldehyde
CID 102911050
1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde
CID 102911175
1-(4-phenylbutyl)indole-6-carbaldehyde
CID 102910951
1-[(E)-but-2-enyl]indole-6-carbaldehyde
CID 102910985
2-(6-formylindol-1-yl)acetamide
CID 28958282
1-[2-(2-methoxyethoxy)ethyl]-5-nitroindole
CID 116619105
2-[2-(6-chloroindol-1-yl)ethoxy]ethanol
CID 116620626
1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid
CID 63748417

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde (CID 102911359) is 1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde is COCCOCCn1ccc2ccc(C=O)cc21.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde?
The InChIKey is VYNICIRPQJTVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-17-8-9-18-7-6-15-5-4-13-3-2-12(11-16)10-14(13)15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde?
1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde has a molecular weight of 247.29 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde is sourced from PubChem (CID 102911359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).