2-bromo-4-methyl-5-morpholin-2-ylphenol

C11H14BrNO2 — CID 84809549

IUPAC2-bromo-4-methyl-5-morpholin-2-ylphenol
SMILESCc1cc(Br)c(O)cc1C1CNCCO1
InChIInChI=1S/C11H14BrNO2/c1-7-4-9(12)10(14)5-8(7)11-6-13-2-3-15-11/h4-5,11,13-14H,2-3,6H2,1H3
InChIKeyVRYKMJLJYKFZSB-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.12
Rot. Bonds1

About 2-bromo-4-methyl-5-morpholin-2-ylphenol

2-bromo-4-methyl-5-morpholin-2-ylphenol (PubChem CID 84809549) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-bromo-4-methyl-5-morpholin-2-ylphenol.

Molecular Properties

Compound Name2-bromo-4-methyl-5-morpholin-2-ylphenol
PubChem CID84809549
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-bromo-4-methyl-5-morpholin-2-ylphenol
SMILESCc1cc(Br)c(O)cc1C1CNCCO1
InChIInChI=1S/C11H14BrNO2/c1-7-4-9(12)10(14)5-8(7)11-6-13-2-3-15-11/h4-5,11,13-14H,2-3,6H2,1H3
InChIKeyVRYKMJLJYKFZSB-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

2-fluoro-4-methyl-5-morpholin-2-ylphenol
CID 84781573
2-methyl-5-morpholin-2-ylbenzene-1,4-diol
CID 117298411
4-bromo-2-methyl-6-morpholin-2-ylphenol
CID 117432760
3-methyl-4-morpholin-2-ylphenol
CID 67032452
3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol
CID 115004627
2-bromo-4-morpholin-2-ylphenol
CID 82623546
4-bromo-3-morpholin-2-ylphenol
CID 83732516
3-bromo-4-morpholin-2-ylphenol
CID 82623544
2,6-dimethyl-3-morpholin-2-ylphenol
CID 117296490
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
3-morpholin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117338465
methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate
CID 176562995

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-5-morpholin-2-ylphenol?
The IUPAC name of 2-bromo-4-methyl-5-morpholin-2-ylphenol (CID 84809549) is 2-bromo-4-methyl-5-morpholin-2-ylphenol.
What is the SMILES notation for 2-bromo-4-methyl-5-morpholin-2-ylphenol?
The canonical SMILES for 2-bromo-4-methyl-5-morpholin-2-ylphenol is Cc1cc(Br)c(O)cc1C1CNCCO1.
What is the InChIKey of 2-bromo-4-methyl-5-morpholin-2-ylphenol?
The InChIKey is VRYKMJLJYKFZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7-4-9(12)10(14)5-8(7)11-6-13-2-3-15-11/h4-5,11,13-14H,2-3,6H2,1H3.
What are the key properties of 2-bromo-4-methyl-5-morpholin-2-ylphenol?
2-bromo-4-methyl-5-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 2-bromo-4-methyl-5-morpholin-2-ylphenol is sourced from PubChem (CID 84809549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).