5-fluoro-1-(2-phenylmethoxyethyl)indole

C17H16FNO — CID 174572169

IUPAC5-fluoro-1-(2-phenylmethoxyethyl)indole
SMILESFc1ccc2c(ccn2CCOCc2ccccc2)c1
InChIInChI=1S/C17H16FNO/c18-16-6-7-17-15(12-16)8-9-19(17)10-11-20-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2
InChIKeyHZWCULSFRSNKHX-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.00
Rot. Bonds5

About 5-fluoro-1-(2-phenylmethoxyethyl)indole

5-fluoro-1-(2-phenylmethoxyethyl)indole (PubChem CID 174572169) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 5-fluoro-1-(2-phenylmethoxyethyl)indole.

Molecular Properties

Compound Name5-fluoro-1-(2-phenylmethoxyethyl)indole
PubChem CID174572169
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name5-fluoro-1-(2-phenylmethoxyethyl)indole
SMILESFc1ccc2c(ccn2CCOCc2ccccc2)c1
InChIInChI=1S/C17H16FNO/c18-16-6-7-17-15(12-16)8-9-19(17)10-11-20-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2
InChIKeyHZWCULSFRSNKHX-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
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 5-fluoro-1-(2-phenylmethoxyethyl)indole?
The IUPAC name of 5-fluoro-1-(2-phenylmethoxyethyl)indole (CID 174572169) is 5-fluoro-1-(2-phenylmethoxyethyl)indole.
What is the SMILES notation for 5-fluoro-1-(2-phenylmethoxyethyl)indole?
The canonical SMILES for 5-fluoro-1-(2-phenylmethoxyethyl)indole is Fc1ccc2c(ccn2CCOCc2ccccc2)c1.
What is the InChIKey of 5-fluoro-1-(2-phenylmethoxyethyl)indole?
The InChIKey is HZWCULSFRSNKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-16-6-7-17-15(12-16)8-9-19(17)10-11-20-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2.
What are the key properties of 5-fluoro-1-(2-phenylmethoxyethyl)indole?
5-fluoro-1-(2-phenylmethoxyethyl)indole has a molecular weight of 269.32 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-phenylmethoxyethyl)indole is sourced from PubChem (CID 174572169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).