5-(3-bromopropoxy)-1-(4-fluorophenyl)indole

C17H15BrFNO — CID 18679464

IUPAC5-(3-bromopropoxy)-1-(4-fluorophenyl)indole
SMILESFc1ccc(-n2ccc3cc(OCCCBr)ccc32)cc1
InChIInChI=1S/C17H15BrFNO/c18-9-1-11-21-16-6-7-17-13(12-16)8-10-20(17)15-4-2-14(19)3-5-15/h2-8,10,12H,1,9,11H2
InChIKeyYIERBICSFSBRII-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.93
Rot. Bonds5

About 5-(3-bromopropoxy)-1-(4-fluorophenyl)indole

5-(3-bromopropoxy)-1-(4-fluorophenyl)indole (PubChem CID 18679464) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is 5-(3-bromopropoxy)-1-(4-fluorophenyl)indole.

Molecular Properties

Compound Name5-(3-bromopropoxy)-1-(4-fluorophenyl)indole
PubChem CID18679464
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC Name5-(3-bromopropoxy)-1-(4-fluorophenyl)indole
SMILESFc1ccc(-n2ccc3cc(OCCCBr)ccc32)cc1
InChIInChI=1S/C17H15BrFNO/c18-9-1-11-21-16-6-7-17-13(12-16)8-10-20(17)15-4-2-14(19)3-5-15/h2-8,10,12H,1,9,11H2
InChIKeyYIERBICSFSBRII-UHFFFAOYSA-N
XLogP4.93
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromopropoxy)-1-(4-fluorophenyl)indole?
The IUPAC name of 5-(3-bromopropoxy)-1-(4-fluorophenyl)indole (CID 18679464) is 5-(3-bromopropoxy)-1-(4-fluorophenyl)indole.
What is the SMILES notation for 5-(3-bromopropoxy)-1-(4-fluorophenyl)indole?
The canonical SMILES for 5-(3-bromopropoxy)-1-(4-fluorophenyl)indole is Fc1ccc(-n2ccc3cc(OCCCBr)ccc32)cc1.
What is the InChIKey of 5-(3-bromopropoxy)-1-(4-fluorophenyl)indole?
The InChIKey is YIERBICSFSBRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO/c18-9-1-11-21-16-6-7-17-13(12-16)8-10-20(17)15-4-2-14(19)3-5-15/h2-8,10,12H,1,9,11H2.
What are the key properties of 5-(3-bromopropoxy)-1-(4-fluorophenyl)indole?
5-(3-bromopropoxy)-1-(4-fluorophenyl)indole has a molecular weight of 348.22 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromopropoxy)-1-(4-fluorophenyl)indole is sourced from PubChem (CID 18679464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).