(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C12H14BrNO3 — CID 81203060

IUPAC(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCOC(CO)C1
InChIInChI=1S/C12H14BrNO3/c13-11-4-2-1-3-10(11)12(16)14-5-6-17-9(7-14)8-15/h1-4,9,15H,5-8H2
InChIKeyYLHOPEGYSUJUKS-UHFFFAOYSA-N
MW300.15 g/mol
LogP1.28
Rot. Bonds2

About (2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 81203060) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is (2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID81203060
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCOC(CO)C1
InChIInChI=1S/C12H14BrNO3/c13-11-4-2-1-3-10(11)12(16)14-5-6-17-9(7-14)8-15/h1-4,9,15H,5-8H2
InChIKeyYLHOPEGYSUJUKS-UHFFFAOYSA-N
XLogP1.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103855429
(2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 114344564
(3-bromo-2-pyridinyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 107519186
(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207971
(2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348185
(2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81213722
[2-(hydroxymethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81208124
[2-(hydroxymethyl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 81208687
2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66434767
2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid
CID 103429192
[2-(hydroxymethyl)morpholin-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 81209075
(3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 113330305

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 81203060) is (2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is O=C(c1ccccc1Br)N1CCOC(CO)C1.
What is the InChIKey of (2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is YLHOPEGYSUJUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c13-11-4-2-1-3-10(11)12(16)14-5-6-17-9(7-14)8-15/h1-4,9,15H,5-8H2.
What are the key properties of (2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 300.15 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81203060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).