4-(3-bromophenoxy)morpholine

C10H12BrNO2 — CID 140501912

IUPAC4-(3-bromophenoxy)morpholine
SMILESBrc1cccc(ON2CCOCC2)c1
InChIInChI=1S/C10H12BrNO2/c11-9-2-1-3-10(8-9)14-12-4-6-13-7-5-12/h1-3,8H,4-7H2
InChIKeyCMJCYVDGHYNVBQ-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.08
Rot. Bonds2

About 4-(3-bromophenoxy)morpholine

4-(3-bromophenoxy)morpholine (PubChem CID 140501912) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 4-(3-bromophenoxy)morpholine.

Molecular Properties

Compound Name4-(3-bromophenoxy)morpholine
PubChem CID140501912
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name4-(3-bromophenoxy)morpholine
SMILESBrc1cccc(ON2CCOCC2)c1
InChIInChI=1S/C10H12BrNO2/c11-9-2-1-3-10(8-9)14-12-4-6-13-7-5-12/h1-3,8H,4-7H2
InChIKeyCMJCYVDGHYNVBQ-UHFFFAOYSA-N
XLogP2.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)morpholine?
The IUPAC name of 4-(3-bromophenoxy)morpholine (CID 140501912) is 4-(3-bromophenoxy)morpholine.
What is the SMILES notation for 4-(3-bromophenoxy)morpholine?
The canonical SMILES for 4-(3-bromophenoxy)morpholine is Brc1cccc(ON2CCOCC2)c1.
What is the InChIKey of 4-(3-bromophenoxy)morpholine?
The InChIKey is CMJCYVDGHYNVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-9-2-1-3-10(8-9)14-12-4-6-13-7-5-12/h1-3,8H,4-7H2.
What are the key properties of 4-(3-bromophenoxy)morpholine?
4-(3-bromophenoxy)morpholine has a molecular weight of 258.11 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)morpholine is sourced from PubChem (CID 140501912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).