4-[3-amino-2-(4-fluorophenoxy)indol-1-yl]phenol

C20H15FN2O2 — CID 70964746

IUPAC4-[3-amino-2-(4-fluorophenoxy)indol-1-yl]phenol
SMILESNc1c(Oc2ccc(F)cc2)n(-c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C20H15FN2O2/c21-13-5-11-16(12-6-13)25-20-19(22)17-3-1-2-4-18(17)23(20)14-7-9-15(24)10-8-14/h1-12,24H,22H2
InChIKeyJDXMILBFBQSRPQ-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.85
Rot. Bonds3

About 4-[3-amino-2-(4-fluorophenoxy)indol-1-yl]phenol

4-[3-amino-2-(4-fluorophenoxy)indol-1-yl]phenol (PubChem CID 70964746) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 4-[3-amino-2-(4-fluorophenoxy)indol-1-yl]phenol.

Molecular Properties

Compound Name4-[3-amino-2-(4-fluorophenoxy)indol-1-yl]phenol
PubChem CID70964746
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name4-[3-amino-2-(4-fluorophenoxy)indol-1-yl]phenol
SMILESNc1c(Oc2ccc(F)cc2)n(-c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C20H15FN2O2/c21-13-5-11-16(12-6-13)25-20-19(22)17-3-1-2-4-18(17)23(20)14-7-9-15(24)10-8-14/h1-12,24H,22H2
InChIKeyJDXMILBFBQSRPQ-UHFFFAOYSA-N
XLogP4.85
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(4-fluorophenoxy)indol-1-yl]phenol?
The IUPAC name of 4-[3-amino-2-(4-fluorophenoxy)indol-1-yl]phenol (CID 70964746) is 4-[3-amino-2-(4-fluorophenoxy)indol-1-yl]phenol.
What is the SMILES notation for 4-[3-amino-2-(4-fluorophenoxy)indol-1-yl]phenol?
The canonical SMILES for 4-[3-amino-2-(4-fluorophenoxy)indol-1-yl]phenol is Nc1c(Oc2ccc(F)cc2)n(-c2ccc(O)cc2)c2ccccc12.
What is the InChIKey of 4-[3-amino-2-(4-fluorophenoxy)indol-1-yl]phenol?
The InChIKey is JDXMILBFBQSRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c21-13-5-11-16(12-6-13)25-20-19(22)17-3-1-2-4-18(17)23(20)14-7-9-15(24)10-8-14/h1-12,24H,22H2.
What are the key properties of 4-[3-amino-2-(4-fluorophenoxy)indol-1-yl]phenol?
4-[3-amino-2-(4-fluorophenoxy)indol-1-yl]phenol has a molecular weight of 334.35 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(4-fluorophenoxy)indol-1-yl]phenol is sourced from PubChem (CID 70964746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).