4-(2,4-difluorophenoxy)-6-methoxy-1H-indole

C15H11F2NO2 — CID 167433327

IUPAC4-(2,4-difluorophenoxy)-6-methoxy-1H-indole
SMILESCOc1cc(Oc2ccc(F)cc2F)c2cc[nH]c2c1
InChIInChI=1S/C15H11F2NO2/c1-19-10-7-13-11(4-5-18-13)15(8-10)20-14-3-2-9(16)6-12(14)17/h2-8,18H,1H3
InChIKeyCPUJJGAPSASWLX-UHFFFAOYSA-N
MW275.25 g/mol
LogP4.25
Rot. Bonds3

About 4-(2,4-difluorophenoxy)-6-methoxy-1H-indole

4-(2,4-difluorophenoxy)-6-methoxy-1H-indole (PubChem CID 167433327) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-6-methoxy-1H-indole.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-6-methoxy-1H-indole
PubChem CID167433327
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Name4-(2,4-difluorophenoxy)-6-methoxy-1H-indole
SMILESCOc1cc(Oc2ccc(F)cc2F)c2cc[nH]c2c1
InChIInChI=1S/C15H11F2NO2/c1-19-10-7-13-11(4-5-18-13)15(8-10)20-14-3-2-9(16)6-12(14)17/h2-8,18H,1H3
InChIKeyCPUJJGAPSASWLX-UHFFFAOYSA-N
XLogP4.25
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-6-methoxy-1H-indole?
The IUPAC name of 4-(2,4-difluorophenoxy)-6-methoxy-1H-indole (CID 167433327) is 4-(2,4-difluorophenoxy)-6-methoxy-1H-indole.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-6-methoxy-1H-indole?
The canonical SMILES for 4-(2,4-difluorophenoxy)-6-methoxy-1H-indole is COc1cc(Oc2ccc(F)cc2F)c2cc[nH]c2c1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-6-methoxy-1H-indole?
The InChIKey is CPUJJGAPSASWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c1-19-10-7-13-11(4-5-18-13)15(8-10)20-14-3-2-9(16)6-12(14)17/h2-8,18H,1H3.
What are the key properties of 4-(2,4-difluorophenoxy)-6-methoxy-1H-indole?
4-(2,4-difluorophenoxy)-6-methoxy-1H-indole has a molecular weight of 275.25 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-6-methoxy-1H-indole is sourced from PubChem (CID 167433327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).