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

C12H13Br2NO3 — CID 114373014

IUPAC(2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1cc(Br)ccc1Br)N1CCOCC1CO
InChIInChI=1S/C12H13Br2NO3/c13-8-1-2-11(14)10(5-8)12(17)15-3-4-18-7-9(15)6-16/h1-2,5,9,16H,3-4,6-7H2
InChIKeyNAZHZHLWNUNWFE-UHFFFAOYSA-N
MW379.05 g/mol
LogP2.04
Rot. Bonds2

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

(2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 114373014) has the molecular formula C12H13Br2NO3 and a molecular weight of 379.05 g/mol. Its IUPAC name is (2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID114373014
Molecular FormulaC12H13Br2NO3
Molecular Weight379.05 g/mol
Exact Mass376.93
IUPAC Name(2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1cc(Br)ccc1Br)N1CCOCC1CO
InChIInChI=1S/C12H13Br2NO3/c13-8-1-2-11(14)10(5-8)12(17)15-3-4-18-7-9(15)6-16/h1-2,5,9,16H,3-4,6-7H2
InChIKeyNAZHZHLWNUNWFE-UHFFFAOYSA-N
XLogP2.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.05
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dibromophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104916302
[3-(chloromethyl)morpholin-4-yl]-(2,4-dibromophenyl)methanone
CID 107941454
(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 106861970
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576
2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
CID 166772200
(2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
CID 97040195
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
[2-(chloromethyl)pyrrolidin-1-yl]-(2,5-dibromophenyl)methanone
CID 114375617
(3-amino-2,5-difluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 107121481
3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid
CID 166772263
(5-bromo-2-hydroxyphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104955443
[3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone
CID 71785831

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone (CID 114373014) is (2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone is O=C(c1cc(Br)ccc1Br)N1CCOCC1CO.
What is the InChIKey of (2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is NAZHZHLWNUNWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO3/c13-8-1-2-11(14)10(5-8)12(17)15-3-4-18-7-9(15)6-16/h1-2,5,9,16H,3-4,6-7H2.
What are the key properties of (2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
(2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 379.05 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 114373014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).