1-(3-ethoxypropyl)-5-propan-2-yloxyindole

C16H23NO2 — CID 116625752

IUPAC1-(3-ethoxypropyl)-5-propan-2-yloxyindole
SMILESCCOCCCn1ccc2cc(OC(C)C)ccc21
InChIInChI=1S/C16H23NO2/c1-4-18-11-5-9-17-10-8-14-12-15(19-13(2)3)6-7-16(14)17/h6-8,10,12-13H,4-5,9,11H2,1-3H3
InChIKeyPTEMSJYTFPBZSL-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.86
Rot. Bonds7

About 1-(3-ethoxypropyl)-5-propan-2-yloxyindole

1-(3-ethoxypropyl)-5-propan-2-yloxyindole (PubChem CID 116625752) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-5-propan-2-yloxyindole.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-5-propan-2-yloxyindole
PubChem CID116625752
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(3-ethoxypropyl)-5-propan-2-yloxyindole
SMILESCCOCCCn1ccc2cc(OC(C)C)ccc21
InChIInChI=1S/C16H23NO2/c1-4-18-11-5-9-17-10-8-14-12-15(19-13(2)3)6-7-16(14)17/h6-8,10,12-13H,4-5,9,11H2,1-3H3
InChIKeyPTEMSJYTFPBZSL-UHFFFAOYSA-N
XLogP3.86
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-propan-2-yloxy-1-(2-propoxyethyl)indole
CID 106458095
1-(3-fluoropropyl)-5-propan-2-yloxyindole
CID 116625898
4-(5-propan-2-yloxyindol-1-yl)butan-1-amine
CID 80643163
1-(2-methoxyethyl)-5-propan-2-yloxyindole
CID 116625827
5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole
CID 103413319
1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole
CID 80649265
1-(cyclopentylmethyl)-5-propan-2-yloxyindole
CID 116625784
1-(2-piperidin-1-ylethyl)-5-propan-2-yloxyindole
CID 116625738
1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine
CID 65178006
N-propan-2-yl-3-(5-propan-2-yloxyindol-1-yl)propanamide
CID 116625781
5-propan-2-yloxy-1-prop-2-ynylindole
CID 116625801
1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole
CID 116625768

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-5-propan-2-yloxyindole?
The IUPAC name of 1-(3-ethoxypropyl)-5-propan-2-yloxyindole (CID 116625752) is 1-(3-ethoxypropyl)-5-propan-2-yloxyindole.
What is the SMILES notation for 1-(3-ethoxypropyl)-5-propan-2-yloxyindole?
The canonical SMILES for 1-(3-ethoxypropyl)-5-propan-2-yloxyindole is CCOCCCn1ccc2cc(OC(C)C)ccc21.
What is the InChIKey of 1-(3-ethoxypropyl)-5-propan-2-yloxyindole?
The InChIKey is PTEMSJYTFPBZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-18-11-5-9-17-10-8-14-12-15(19-13(2)3)6-7-16(14)17/h6-8,10,12-13H,4-5,9,11H2,1-3H3.
What are the key properties of 1-(3-ethoxypropyl)-5-propan-2-yloxyindole?
1-(3-ethoxypropyl)-5-propan-2-yloxyindole has a molecular weight of 261.37 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-5-propan-2-yloxyindole is sourced from PubChem (CID 116625752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).