[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone

C14H18BrNO3 — CID 102937779

IUPAC[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CC(C)OC(CBr)C1
InChIInChI=1S/C14H18BrNO3/c1-9-7-16(8-11(6-15)19-9)14(18)12-4-3-5-13(17)10(12)2/h3-5,9,11,17H,6-8H2,1-2H3
InChIKeyNDYFORYUWBVLHJ-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.33
Rot. Bonds2

About [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone

[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone (PubChem CID 102937779) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone
PubChem CID102937779
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CC(C)OC(CBr)C1
InChIInChI=1S/C14H18BrNO3/c1-9-7-16(8-11(6-15)19-9)14(18)12-4-3-5-13(17)10(12)2/h3-5,9,11,17H,6-8H2,1-2H3
InChIKeyNDYFORYUWBVLHJ-UHFFFAOYSA-N
XLogP2.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,5-dihydroxyphenyl)methanone
CID 107726249
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(5-bromo-2-methylphenyl)methanone
CID 102937933
[2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 102937724
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 102937683
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone
CID 107729118
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-chloro-4-methylphenyl)methanone
CID 106864094
(3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 82829577
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 106669828
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone
CID 102937738
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
CID 107706233
(3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82829609
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone
CID 102937854

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone?
The IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone (CID 102937779) is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone is Cc1c(O)cccc1C(=O)N1CC(C)OC(CBr)C1.
What is the InChIKey of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone?
The InChIKey is NDYFORYUWBVLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-9-7-16(8-11(6-15)19-9)14(18)12-4-3-5-13(17)10(12)2/h3-5,9,11,17H,6-8H2,1-2H3.
What are the key properties of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone?
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone has a molecular weight of 328.21 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 102937779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).