4-bromo-2-methoxy-6-morpholin-2-ylphenol

C11H14BrNO3 — CID 117464726

IUPAC4-bromo-2-methoxy-6-morpholin-2-ylphenol
SMILESCOc1cc(Br)cc(C2CNCCO2)c1O
InChIInChI=1S/C11H14BrNO3/c1-15-9-5-7(12)4-8(11(9)14)10-6-13-2-3-16-10/h4-5,10,13-14H,2-3,6H2,1H3
InChIKeySOCAECLIPBXTPR-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.82
Rot. Bonds2

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

4-bromo-2-methoxy-6-morpholin-2-ylphenol (PubChem CID 117464726) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6-morpholin-2-ylphenol.

Molecular Properties

Compound Name4-bromo-2-methoxy-6-morpholin-2-ylphenol
PubChem CID117464726
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name4-bromo-2-methoxy-6-morpholin-2-ylphenol
SMILESCOc1cc(Br)cc(C2CNCCO2)c1O
InChIInChI=1S/C11H14BrNO3/c1-15-9-5-7(12)4-8(11(9)14)10-6-13-2-3-16-10/h4-5,10,13-14H,2-3,6H2,1H3
InChIKeySOCAECLIPBXTPR-UHFFFAOYSA-N
XLogP1.82
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-methyl-6-morpholin-2-ylphenol
CID 117432760
4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol
CID 117491089
2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile
CID 117340234
3-methoxy-2-methyl-5-morpholin-2-ylphenol
CID 84789009
3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol
CID 117397860
2-(2,4-dimethoxy-5-methylphenyl)morpholine
CID 117346886
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
2-(3-bromo-2,4-dimethoxyphenyl)morpholine
CID 117486500
2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol
CID 130699449
2-(2-methoxy-4-methylphenyl)morpholine
CID 82611084
2-methoxy-3,6-dimethyl-4-morpholin-2-ylphenol
CID 117346877
2-methoxy-5,6-dimethyl-3-morpholin-2-ylphenol
CID 117346862

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-6-morpholin-2-ylphenol?
The IUPAC name of 4-bromo-2-methoxy-6-morpholin-2-ylphenol (CID 117464726) is 4-bromo-2-methoxy-6-morpholin-2-ylphenol.
What is the SMILES notation for 4-bromo-2-methoxy-6-morpholin-2-ylphenol?
The canonical SMILES for 4-bromo-2-methoxy-6-morpholin-2-ylphenol is COc1cc(Br)cc(C2CNCCO2)c1O.
What is the InChIKey of 4-bromo-2-methoxy-6-morpholin-2-ylphenol?
The InChIKey is SOCAECLIPBXTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-15-9-5-7(12)4-8(11(9)14)10-6-13-2-3-16-10/h4-5,10,13-14H,2-3,6H2,1H3.
What are the key properties of 4-bromo-2-methoxy-6-morpholin-2-ylphenol?
4-bromo-2-methoxy-6-morpholin-2-ylphenol has a molecular weight of 288.14 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-6-morpholin-2-ylphenol is sourced from PubChem (CID 117464726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).