[2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone

C13H16BrNO4 — CID 81212035

IUPAC[2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCOC(CBr)C2)c1O
InChIInChI=1S/C13H16BrNO4/c1-18-11-4-2-3-10(12(11)16)13(17)15-5-6-19-9(7-14)8-15/h2-4,9,16H,5-8H2,1H3
InChIKeyYKODPPUEMBYJHC-UHFFFAOYSA-N
MW330.18 g/mol
LogP1.64
Rot. Bonds3

About [2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone

[2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone (PubChem CID 81212035) has the molecular formula C13H16BrNO4 and a molecular weight of 330.18 g/mol. Its IUPAC name is [2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone
PubChem CID81212035
Molecular FormulaC13H16BrNO4
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC Name[2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCOC(CBr)C2)c1O
InChIInChI=1S/C13H16BrNO4/c1-18-11-4-2-3-10(12(11)16)13(17)15-5-6-19-9(7-14)8-15/h2-4,9,16H,5-8H2,1H3
InChIKeyYKODPPUEMBYJHC-UHFFFAOYSA-N
XLogP1.64
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(2-hydroxy-3-methoxybenzoyl)morpholine-2-carbothioamide
CID 79674577
(2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 114344564
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
(2-hydroxy-3-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64599551
[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone
CID 42401886
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 102938247
[2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81211794
(4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 78988641
1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63007028
[2-(bromomethyl)morpholin-4-yl]-(2-nitrophenyl)methanone
CID 81210238
[2-(bromomethyl)morpholin-4-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 81211072
(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 63390939

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
The IUPAC name of [2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone (CID 81212035) is [2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone.
What is the SMILES notation for [2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
The canonical SMILES for [2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCOC(CBr)C2)c1O.
What is the InChIKey of [2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
The InChIKey is YKODPPUEMBYJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO4/c1-18-11-4-2-3-10(12(11)16)13(17)15-5-6-19-9(7-14)8-15/h2-4,9,16H,5-8H2,1H3.
What are the key properties of [2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
[2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone has a molecular weight of 330.18 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 81212035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).