4-[5-bromo-3-(4-fluorophenyl)indol-1-yl]phenol

C20H13BrFNO — CID 132576644

IUPAC4-[5-bromo-3-(4-fluorophenyl)indol-1-yl]phenol
SMILESOc1ccc(-n2cc(-c3ccc(F)cc3)c3cc(Br)ccc32)cc1
InChIInChI=1S/C20H13BrFNO/c21-14-3-10-20-18(11-14)19(13-1-4-15(22)5-2-13)12-23(20)16-6-8-17(24)9-7-16/h1-12,24H
InChIKeyXBHVFKKDEAXXAB-UHFFFAOYSA-N
MW382.23 g/mol
LogP5.90
Rot. Bonds2

About 4-[5-bromo-3-(4-fluorophenyl)indol-1-yl]phenol

4-[5-bromo-3-(4-fluorophenyl)indol-1-yl]phenol (PubChem CID 132576644) has the molecular formula C20H13BrFNO and a molecular weight of 382.23 g/mol. Its IUPAC name is 4-[5-bromo-3-(4-fluorophenyl)indol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-bromo-3-(4-fluorophenyl)indol-1-yl]phenol
PubChem CID132576644
Molecular FormulaC20H13BrFNO
Molecular Weight382.23 g/mol
Exact Mass381.02
IUPAC Name4-[5-bromo-3-(4-fluorophenyl)indol-1-yl]phenol
SMILESOc1ccc(-n2cc(-c3ccc(F)cc3)c3cc(Br)ccc32)cc1
InChIInChI=1S/C20H13BrFNO/c21-14-3-10-20-18(11-14)19(13-1-4-15(22)5-2-13)12-23(20)16-6-8-17(24)9-7-16/h1-12,24H
InChIKeyXBHVFKKDEAXXAB-UHFFFAOYSA-N
XLogP5.90
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.23
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-3-(4-fluorophenyl)indol-1-yl]phenol?
The IUPAC name of 4-[5-bromo-3-(4-fluorophenyl)indol-1-yl]phenol (CID 132576644) is 4-[5-bromo-3-(4-fluorophenyl)indol-1-yl]phenol.
What is the SMILES notation for 4-[5-bromo-3-(4-fluorophenyl)indol-1-yl]phenol?
The canonical SMILES for 4-[5-bromo-3-(4-fluorophenyl)indol-1-yl]phenol is Oc1ccc(-n2cc(-c3ccc(F)cc3)c3cc(Br)ccc32)cc1.
What is the InChIKey of 4-[5-bromo-3-(4-fluorophenyl)indol-1-yl]phenol?
The InChIKey is XBHVFKKDEAXXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrFNO/c21-14-3-10-20-18(11-14)19(13-1-4-15(22)5-2-13)12-23(20)16-6-8-17(24)9-7-16/h1-12,24H.
What are the key properties of 4-[5-bromo-3-(4-fluorophenyl)indol-1-yl]phenol?
4-[5-bromo-3-(4-fluorophenyl)indol-1-yl]phenol has a molecular weight of 382.23 g/mol, XLogP of 5.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-3-(4-fluorophenyl)indol-1-yl]phenol is sourced from PubChem (CID 132576644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).