4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol

C12H16BrNO2 — CID 81214018

IUPAC4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol
SMILESOc1ccc(CN2CCOC(CBr)C2)cc1
InChIInChI=1S/C12H16BrNO2/c13-7-12-9-14(5-6-16-12)8-10-1-3-11(15)4-2-10/h1-4,12,15H,5-9H2
InChIKeyMFYZESUVCHOGQW-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.99
Rot. Bonds3

About 4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol

4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol (PubChem CID 81214018) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol
PubChem CID81214018
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol
SMILESOc1ccc(CN2CCOC(CBr)C2)cc1
InChIInChI=1S/C12H16BrNO2/c13-7-12-9-14(5-6-16-12)8-10-1-3-11(15)4-2-10/h1-4,12,15H,5-9H2
InChIKeyMFYZESUVCHOGQW-UHFFFAOYSA-N
XLogP1.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.99
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)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine
CID 103041391
2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine
CID 81213537
4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine
CID 131047863
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoic acid
CID 81205300
[4-(pyridin-4-ylmethyl)morpholin-2-yl]methanol
CID 79841050
2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine
CID 81213276
2-(bromomethyl)-4-[(2-chloro-3-fluorophenyl)methyl]morpholine
CID 112654433
2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 82976620
2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine
CID 81213273
4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine
CID 81212861
2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433866

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol?
The IUPAC name of 4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol (CID 81214018) is 4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol.
What is the SMILES notation for 4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol?
The canonical SMILES for 4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol is Oc1ccc(CN2CCOC(CBr)C2)cc1.
What is the InChIKey of 4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol?
The InChIKey is MFYZESUVCHOGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c13-7-12-9-14(5-6-16-12)8-10-1-3-11(15)4-2-10/h1-4,12,15H,5-9H2.
What are the key properties of 4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol?
4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol has a molecular weight of 286.17 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol is sourced from PubChem (CID 81214018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).