3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol

C12H16BrNO2 — CID 115004627

IUPAC3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol
SMILESCc1cc(Br)c(C)c(O)c1C1CNCCO1
InChIInChI=1S/C12H16BrNO2/c1-7-5-9(13)8(2)12(15)11(7)10-6-14-3-4-16-10/h5,10,14-15H,3-4,6H2,1-2H3
InChIKeyXLMOIPFBPCMNQB-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.43
Rot. Bonds1

About 3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol

3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol (PubChem CID 115004627) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol.

Molecular Properties

Compound Name3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol
PubChem CID115004627
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol
SMILESCc1cc(Br)c(C)c(O)c1C1CNCCO1
InChIInChI=1S/C12H16BrNO2/c1-7-5-9(13)8(2)12(15)11(7)10-6-14-3-4-16-10/h5,10,14-15H,3-4,6H2,1-2H3
InChIKeyXLMOIPFBPCMNQB-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-methyl-5-morpholin-2-ylphenol
CID 84809549
2-(2-bromo-3,6-dimethylphenyl)morpholine
CID 84808936
2-chloro-6-methyl-4-morpholin-2-ylphenol
CID 84791758
4-bromo-2-methyl-6-morpholin-2-ylphenol
CID 117432760
2-(4-tert-butyl-2,6-dimethylphenyl)morpholine
CID 82296070
6-bromo-3,4-difluoro-2-morpholin-2-ylphenol
CID 117474310
6-methoxy-3-methyl-2-morpholin-2-ylphenol
CID 117319599
2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine
CID 117483768
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
2,6-dimethyl-3-morpholin-2-ylphenol
CID 117296490
3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol
CID 117397860
4-chloro-3-methyl-2-morpholin-2-yl-6-propan-2-ylphenol
CID 117427567

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol?
The IUPAC name of 3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol (CID 115004627) is 3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol.
What is the SMILES notation for 3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol?
The canonical SMILES for 3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol is Cc1cc(Br)c(C)c(O)c1C1CNCCO1.
What is the InChIKey of 3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol?
The InChIKey is XLMOIPFBPCMNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-7-5-9(13)8(2)12(15)11(7)10-6-14-3-4-16-10/h5,10,14-15H,3-4,6H2,1-2H3.
What are the key properties of 3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol?
3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol has a molecular weight of 286.17 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol is sourced from PubChem (CID 115004627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).