4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one

C11H12BrNO3 — CID 117008639

IUPAC4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one
SMILESO=C1C(CO)OCCN1c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO3/c12-8-1-3-9(4-2-8)13-5-6-16-10(7-14)11(13)15/h1-4,10,14H,5-7H2
InChIKeyKXNNTKABAMCPGU-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.17
Rot. Bonds2

About 4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one

4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one (PubChem CID 117008639) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one
PubChem CID117008639
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one
SMILESO=C1C(CO)OCCN1c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO3/c12-8-1-3-9(4-2-8)13-5-6-16-10(7-14)11(13)15/h1-4,10,14H,5-7H2
InChIKeyKXNNTKABAMCPGU-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one?
The IUPAC name of 4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one (CID 117008639) is 4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one.
What is the SMILES notation for 4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one?
The canonical SMILES for 4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one is O=C1C(CO)OCCN1c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one?
The InChIKey is KXNNTKABAMCPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c12-8-1-3-9(4-2-8)13-5-6-16-10(7-14)11(13)15/h1-4,10,14H,5-7H2.
What are the key properties of 4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one?
4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one has a molecular weight of 286.12 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one is sourced from PubChem (CID 117008639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).