5-methoxy-1-(3-phenoxypropyl)indole

C18H19NO2 — CID 110831444

IUPAC5-methoxy-1-(3-phenoxypropyl)indole
SMILESCOc1ccc2c(ccn2CCCOc2ccccc2)c1
InChIInChI=1S/C18H19NO2/c1-20-17-8-9-18-15(14-17)10-12-19(18)11-5-13-21-16-6-3-2-4-7-16/h2-4,6-10,12,14H,5,11,13H2,1H3
InChIKeySUWMJIHULSLUEW-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.12
Rot. Bonds6

About 5-methoxy-1-(3-phenoxypropyl)indole

5-methoxy-1-(3-phenoxypropyl)indole (PubChem CID 110831444) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-methoxy-1-(3-phenoxypropyl)indole.

Molecular Properties

Compound Name5-methoxy-1-(3-phenoxypropyl)indole
PubChem CID110831444
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name5-methoxy-1-(3-phenoxypropyl)indole
SMILESCOc1ccc2c(ccn2CCCOc2ccccc2)c1
InChIInChI=1S/C18H19NO2/c1-20-17-8-9-18-15(14-17)10-12-19(18)11-5-13-21-16-6-3-2-4-7-16/h2-4,6-10,12,14H,5,11,13H2,1H3
InChIKeySUWMJIHULSLUEW-UHFFFAOYSA-N
XLogP4.12
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.12
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

1-[4-(4-chlorophenoxy)butyl]-5-methoxyindole
CID 110831449
5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole
CID 103413319
1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole
CID 116619353
1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole
CID 110830948
1-(5-iodopentyl)-5-methoxyindole
CID 141021512
6-(5-methoxyindol-1-yl)hexan-1-ol
CID 107707082
4-[3-(5-ethoxyindol-1-yl)propoxy]benzoic acid
CID 110830964
1-(3-ethylsulfonylpropyl)-5-methoxyindole
CID 116619453
1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole
CID 141115136
4-methoxy-1-(3-phenoxypropyl)indole
CID 83165816
5-methoxy-1-(2-methylsulfanylethyl)indole
CID 116619344
3-(5-methoxyindol-1-yl)propanamide
CID 116619447

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(3-phenoxypropyl)indole?
The IUPAC name of 5-methoxy-1-(3-phenoxypropyl)indole (CID 110831444) is 5-methoxy-1-(3-phenoxypropyl)indole.
What is the SMILES notation for 5-methoxy-1-(3-phenoxypropyl)indole?
The canonical SMILES for 5-methoxy-1-(3-phenoxypropyl)indole is COc1ccc2c(ccn2CCCOc2ccccc2)c1.
What is the InChIKey of 5-methoxy-1-(3-phenoxypropyl)indole?
The InChIKey is SUWMJIHULSLUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-20-17-8-9-18-15(14-17)10-12-19(18)11-5-13-21-16-6-3-2-4-7-16/h2-4,6-10,12,14H,5,11,13H2,1H3.
What are the key properties of 5-methoxy-1-(3-phenoxypropyl)indole?
5-methoxy-1-(3-phenoxypropyl)indole has a molecular weight of 281.36 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(3-phenoxypropyl)indole is sourced from PubChem (CID 110831444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).