4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine

C11H13BrN2O3 — CID 167231314

IUPAC4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine
SMILESCOc1cc(N2CCOCC2)c(Br)cc1N=O
InChIInChI=1S/C11H13BrN2O3/c1-16-11-7-10(8(12)6-9(11)13-15)14-2-4-17-5-3-14/h6-7H,2-5H2,1H3
InChIKeyQWDWDHQXPPAXIP-UHFFFAOYSA-N
MW301.14 g/mol
LogP2.69
Rot. Bonds3

About 4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine

4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine (PubChem CID 167231314) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine.

Molecular Properties

Compound Name4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine
PubChem CID167231314
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine
SMILESCOc1cc(N2CCOCC2)c(Br)cc1N=O
InChIInChI=1S/C11H13BrN2O3/c1-16-11-7-10(8(12)6-9(11)13-15)14-2-4-17-5-3-14/h6-7H,2-5H2,1H3
InChIKeyQWDWDHQXPPAXIP-UHFFFAOYSA-N
XLogP2.69
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine?
The IUPAC name of 4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine (CID 167231314) is 4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine.
What is the SMILES notation for 4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine?
The canonical SMILES for 4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine is COc1cc(N2CCOCC2)c(Br)cc1N=O.
What is the InChIKey of 4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine?
The InChIKey is QWDWDHQXPPAXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-16-11-7-10(8(12)6-9(11)13-15)14-2-4-17-5-3-14/h6-7H,2-5H2,1H3.
What are the key properties of 4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine?
4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine has a molecular weight of 301.14 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine is sourced from PubChem (CID 167231314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).