3,6-diethyl-1-(propoxymethyl)indole

C16H23NO — CID 70846986

IUPAC3,6-diethyl-1-(propoxymethyl)indole
SMILESCCCOCn1cc(CC)c2ccc(CC)cc21
InChIInChI=1S/C16H23NO/c1-4-9-18-12-17-11-14(6-3)15-8-7-13(5-2)10-16(15)17/h7-8,10-11H,4-6,9,12H2,1-3H3
InChIKeyKMNVFOJCEHTDNB-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.15
Rot. Bonds6

About 3,6-diethyl-1-(propoxymethyl)indole

3,6-diethyl-1-(propoxymethyl)indole (PubChem CID 70846986) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3,6-diethyl-1-(propoxymethyl)indole.

Molecular Properties

Compound Name3,6-diethyl-1-(propoxymethyl)indole
PubChem CID70846986
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3,6-diethyl-1-(propoxymethyl)indole
SMILESCCCOCn1cc(CC)c2ccc(CC)cc21
InChIInChI=1S/C16H23NO/c1-4-9-18-12-17-11-14(6-3)15-8-7-13(5-2)10-16(15)17/h7-8,10-11H,4-6,9,12H2,1-3H3
InChIKeyKMNVFOJCEHTDNB-UHFFFAOYSA-N
XLogP4.15
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1-(propoxymethyl)indole?
The IUPAC name of 3,6-diethyl-1-(propoxymethyl)indole (CID 70846986) is 3,6-diethyl-1-(propoxymethyl)indole.
What is the SMILES notation for 3,6-diethyl-1-(propoxymethyl)indole?
The canonical SMILES for 3,6-diethyl-1-(propoxymethyl)indole is CCCOCn1cc(CC)c2ccc(CC)cc21.
What is the InChIKey of 3,6-diethyl-1-(propoxymethyl)indole?
The InChIKey is KMNVFOJCEHTDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-9-18-12-17-11-14(6-3)15-8-7-13(5-2)10-16(15)17/h7-8,10-11H,4-6,9,12H2,1-3H3.
What are the key properties of 3,6-diethyl-1-(propoxymethyl)indole?
3,6-diethyl-1-(propoxymethyl)indole has a molecular weight of 245.37 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1-(propoxymethyl)indole is sourced from PubChem (CID 70846986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).