4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one

C12H14BrNO3 — CID 115102805

IUPAC4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
SMILESO=C1COCC(CO)N1Cc1cccc(Br)c1
InChIInChI=1S/C12H14BrNO3/c13-10-3-1-2-9(4-10)5-14-11(6-15)7-17-8-12(14)16/h1-4,11,15H,5-8H2
InChIKeyYUDKGHSHAGSTSF-UHFFFAOYSA-N
MW300.15 g/mol
LogP1.17
Rot. Bonds3

About 4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one

4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one (PubChem CID 115102805) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one.

Molecular Properties

Compound Name4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
PubChem CID115102805
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
SMILESO=C1COCC(CO)N1Cc1cccc(Br)c1
InChIInChI=1S/C12H14BrNO3/c13-10-3-1-2-9(4-10)5-14-11(6-15)7-17-8-12(14)16/h1-4,11,15H,5-8H2
InChIKeyYUDKGHSHAGSTSF-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102818
5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 115102815
5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
CID 115060562
[(2S)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanol
CID 30979696
5-(3-aminopropyl)-4-benzylmorpholin-3-one
CID 115060565
1-[(3-bromophenyl)methyl]azepane-2,7-dione
CID 60976376
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 115064830
4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one
CID 117009573
1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 61414137
4-(3-acetylphenyl)-5-(hydroxymethyl)morpholin-3-one
CID 117009582
1-[(3-bromophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64879076

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one?
The IUPAC name of 4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one (CID 115102805) is 4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one.
What is the SMILES notation for 4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one?
The canonical SMILES for 4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one is O=C1COCC(CO)N1Cc1cccc(Br)c1.
What is the InChIKey of 4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one?
The InChIKey is YUDKGHSHAGSTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c13-10-3-1-2-9(4-10)5-14-11(6-15)7-17-8-12(14)16/h1-4,11,15H,5-8H2.
What are the key properties of 4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one?
4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one has a molecular weight of 300.15 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one is sourced from PubChem (CID 115102805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).