1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-nitrosoindol-2-ol

C17H15BrN2O3 — CID 135575093

IUPAC1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-nitrosoindol-2-ol
SMILESCc1cccc2c(N=O)c(O)n(CCOc3ccc(Br)cc3)c12
InChIInChI=1S/C17H15BrN2O3/c1-11-3-2-4-14-15(19-22)17(21)20(16(11)14)9-10-23-13-7-5-12(18)6-8-13/h2-8,21H,9-10H2,1H3
InChIKeyYOMPLLBVHJKJIO-UHFFFAOYSA-N
MW375.22 g/mol
LogP4.89
Rot. Bonds5

About 1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-nitrosoindol-2-ol

1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-nitrosoindol-2-ol (PubChem CID 135575093) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-nitrosoindol-2-ol.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-nitrosoindol-2-ol
PubChem CID135575093
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-nitrosoindol-2-ol
SMILESCc1cccc2c(N=O)c(O)n(CCOc3ccc(Br)cc3)c12
InChIInChI=1S/C17H15BrN2O3/c1-11-3-2-4-14-15(19-22)17(21)20(16(11)14)9-10-23-13-7-5-12(18)6-8-13/h2-8,21H,9-10H2,1H3
InChIKeyYOMPLLBVHJKJIO-UHFFFAOYSA-N
XLogP4.89
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-nitrosoindol-2-ol?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-nitrosoindol-2-ol (CID 135575093) is 1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-nitrosoindol-2-ol.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-nitrosoindol-2-ol?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-nitrosoindol-2-ol is Cc1cccc2c(N=O)c(O)n(CCOc3ccc(Br)cc3)c12.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-nitrosoindol-2-ol?
The InChIKey is YOMPLLBVHJKJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-11-3-2-4-14-15(19-22)17(21)20(16(11)14)9-10-23-13-7-5-12(18)6-8-13/h2-8,21H,9-10H2,1H3.
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-nitrosoindol-2-ol?
1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-nitrosoindol-2-ol has a molecular weight of 375.22 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-nitrosoindol-2-ol is sourced from PubChem (CID 135575093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).