(3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

C13H15Br2NO3 — CID 103909324

IUPAC(3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H15Br2NO3/c1-8-7-19-12(6-17)5-16(8)13(18)9-2-10(14)4-11(15)3-9/h2-4,8,12,17H,5-7H2,1H3
InChIKeyQILFUGMPUUYVQZ-UHFFFAOYSA-N
MW393.08 g/mol
LogP2.43
Rot. Bonds2

About (3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

(3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 103909324) has the molecular formula C13H15Br2NO3 and a molecular weight of 393.08 g/mol. Its IUPAC name is (3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID103909324
Molecular FormulaC13H15Br2NO3
Molecular Weight393.08 g/mol
Exact Mass390.94
IUPAC Name(3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H15Br2NO3/c1-8-7-19-12(6-17)5-16(8)13(18)9-2-10(14)4-11(15)3-9/h2-4,8,12,17H,5-7H2,1H3
InChIKeyQILFUGMPUUYVQZ-UHFFFAOYSA-N
XLogP2.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.08
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-methylphenyl)-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 99606476
(3-bromo-5-fluorophenyl)-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone
CID 81211638
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 81202743
(4-amino-3-bromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81202851
(3-bromo-4-fluorophenyl)-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 97250594
(4-bromo-2-methylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208453
(3,5-dichloro-4-methoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208657
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203700
(5-bromo-2-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81203507
(3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 104851930
(2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 110027448
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-methyl-5-nitrophenyl)methanone
CID 115869211

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of (3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 103909324) is (3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for (3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is CC1COC(CO)CN1C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of (3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is QILFUGMPUUYVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO3/c1-8-7-19-12(6-17)5-16(8)13(18)9-2-10(14)4-11(15)3-9/h2-4,8,12,17H,5-7H2,1H3.
What are the key properties of (3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
(3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 393.08 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 103909324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).