4-fluoro-1-(3-phenoxypropyl)indole

C17H16FNO — CID 82792007

IUPAC4-fluoro-1-(3-phenoxypropyl)indole
SMILESFc1cccc2c1ccn2CCCOc1ccccc1
InChIInChI=1S/C17H16FNO/c18-16-8-4-9-17-15(16)10-12-19(17)11-5-13-20-14-6-2-1-3-7-14/h1-4,6-10,12H,5,11,13H2
InChIKeyUVCOJNDHTCBMBK-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.25
Rot. Bonds5

About 4-fluoro-1-(3-phenoxypropyl)indole

4-fluoro-1-(3-phenoxypropyl)indole (PubChem CID 82792007) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-fluoro-1-(3-phenoxypropyl)indole.

Molecular Properties

Compound Name4-fluoro-1-(3-phenoxypropyl)indole
PubChem CID82792007
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name4-fluoro-1-(3-phenoxypropyl)indole
SMILESFc1cccc2c1ccn2CCCOc1ccccc1
InChIInChI=1S/C17H16FNO/c18-16-8-4-9-17-15(16)10-12-19(17)11-5-13-20-14-6-2-1-3-7-14/h1-4,6-10,12H,5,11,13H2
InChIKeyUVCOJNDHTCBMBK-UHFFFAOYSA-N
XLogP4.25
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.25
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 4-fluoro-1-(3-phenoxypropyl)indole?
The IUPAC name of 4-fluoro-1-(3-phenoxypropyl)indole (CID 82792007) is 4-fluoro-1-(3-phenoxypropyl)indole.
What is the SMILES notation for 4-fluoro-1-(3-phenoxypropyl)indole?
The canonical SMILES for 4-fluoro-1-(3-phenoxypropyl)indole is Fc1cccc2c1ccn2CCCOc1ccccc1.
What is the InChIKey of 4-fluoro-1-(3-phenoxypropyl)indole?
The InChIKey is UVCOJNDHTCBMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-16-8-4-9-17-15(16)10-12-19(17)11-5-13-20-14-6-2-1-3-7-14/h1-4,6-10,12H,5,11,13H2.
What are the key properties of 4-fluoro-1-(3-phenoxypropyl)indole?
4-fluoro-1-(3-phenoxypropyl)indole has a molecular weight of 269.32 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-phenoxypropyl)indole is sourced from PubChem (CID 82792007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).