4-bromo-2-methyl-6-morpholin-2-ylphenol

C11H14BrNO2 — CID 117432760

IUPAC4-bromo-2-methyl-6-morpholin-2-ylphenol
SMILESCc1cc(Br)cc(C2CNCCO2)c1O
InChIInChI=1S/C11H14BrNO2/c1-7-4-8(12)5-9(11(7)14)10-6-13-2-3-15-10/h4-5,10,13-14H,2-3,6H2,1H3
InChIKeyWHCWKFIRISPHAQ-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.12
Rot. Bonds1

About 4-bromo-2-methyl-6-morpholin-2-ylphenol

4-bromo-2-methyl-6-morpholin-2-ylphenol (PubChem CID 117432760) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 4-bromo-2-methyl-6-morpholin-2-ylphenol.

Molecular Properties

Compound Name4-bromo-2-methyl-6-morpholin-2-ylphenol
PubChem CID117432760
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name4-bromo-2-methyl-6-morpholin-2-ylphenol
SMILESCc1cc(Br)cc(C2CNCCO2)c1O
InChIInChI=1S/C11H14BrNO2/c1-7-4-8(12)5-9(11(7)14)10-6-13-2-3-15-10/h4-5,10,13-14H,2-3,6H2,1H3
InChIKeyWHCWKFIRISPHAQ-UHFFFAOYSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-methoxy-6-morpholin-2-ylphenol
CID 117464726
2-bromo-4-methyl-5-morpholin-2-ylphenol
CID 84809549
2-chloro-6-methyl-4-morpholin-2-ylphenol
CID 84791758
2-methyl-5-morpholin-2-ylbenzene-1,4-diol
CID 117298411
2,6-dimethyl-3-morpholin-2-ylphenol
CID 117296490
2-methoxy-3,6-dimethyl-4-morpholin-2-ylphenol
CID 117346877
3-methyl-4-morpholin-2-ylphenol
CID 67032452
3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol
CID 115004627
4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol
CID 117491089
4-chloro-2-fluoro-6-morpholin-2-ylphenol
CID 117335358
2-fluoro-4-methyl-5-morpholin-2-ylphenol
CID 84781573
2-methoxy-5,6-dimethyl-3-morpholin-2-ylphenol
CID 117346862

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-6-morpholin-2-ylphenol?
The IUPAC name of 4-bromo-2-methyl-6-morpholin-2-ylphenol (CID 117432760) is 4-bromo-2-methyl-6-morpholin-2-ylphenol.
What is the SMILES notation for 4-bromo-2-methyl-6-morpholin-2-ylphenol?
The canonical SMILES for 4-bromo-2-methyl-6-morpholin-2-ylphenol is Cc1cc(Br)cc(C2CNCCO2)c1O.
What is the InChIKey of 4-bromo-2-methyl-6-morpholin-2-ylphenol?
The InChIKey is WHCWKFIRISPHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7-4-8(12)5-9(11(7)14)10-6-13-2-3-15-10/h4-5,10,13-14H,2-3,6H2,1H3.
What are the key properties of 4-bromo-2-methyl-6-morpholin-2-ylphenol?
4-bromo-2-methyl-6-morpholin-2-ylphenol has a molecular weight of 272.14 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-6-morpholin-2-ylphenol is sourced from PubChem (CID 117432760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).