1-[2-(2-fluorophenoxy)ethyl]-3-nitrosoindol-2-ol

C16H13FN2O3 — CID 137240663

IUPAC1-[2-(2-fluorophenoxy)ethyl]-3-nitrosoindol-2-ol
SMILESO=Nc1c(O)n(CCOc2ccccc2F)c2ccccc12
InChIInChI=1S/C16H13FN2O3/c17-12-6-2-4-8-14(12)22-10-9-19-13-7-3-1-5-11(13)15(18-21)16(19)20/h1-8,20H,9-10H2
InChIKeyGZAVUUMNRGYVTE-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.96
Rot. Bonds5

About 1-[2-(2-fluorophenoxy)ethyl]-3-nitrosoindol-2-ol

1-[2-(2-fluorophenoxy)ethyl]-3-nitrosoindol-2-ol (PubChem CID 137240663) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethyl]-3-nitrosoindol-2-ol.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethyl]-3-nitrosoindol-2-ol
PubChem CID137240663
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name1-[2-(2-fluorophenoxy)ethyl]-3-nitrosoindol-2-ol
SMILESO=Nc1c(O)n(CCOc2ccccc2F)c2ccccc12
InChIInChI=1S/C16H13FN2O3/c17-12-6-2-4-8-14(12)22-10-9-19-13-7-3-1-5-11(13)15(18-21)16(19)20/h1-8,20H,9-10H2
InChIKeyGZAVUUMNRGYVTE-UHFFFAOYSA-N
XLogP3.96
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-nitrosoindol-2-ol?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-nitrosoindol-2-ol (CID 137240663) is 1-[2-(2-fluorophenoxy)ethyl]-3-nitrosoindol-2-ol.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethyl]-3-nitrosoindol-2-ol?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethyl]-3-nitrosoindol-2-ol is O=Nc1c(O)n(CCOc2ccccc2F)c2ccccc12.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethyl]-3-nitrosoindol-2-ol?
The InChIKey is GZAVUUMNRGYVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c17-12-6-2-4-8-14(12)22-10-9-19-13-7-3-1-5-11(13)15(18-21)16(19)20/h1-8,20H,9-10H2.
What are the key properties of 1-[2-(2-fluorophenoxy)ethyl]-3-nitrosoindol-2-ol?
1-[2-(2-fluorophenoxy)ethyl]-3-nitrosoindol-2-ol has a molecular weight of 300.29 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)ethyl]-3-nitrosoindol-2-ol is sourced from PubChem (CID 137240663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).