4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol

C11H13BrFNO3 — CID 117491098

IUPAC4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol
SMILESCOc1c(O)c(F)cc(Br)c1C1CNCCO1
InChIInChI=1S/C11H13BrFNO3/c1-16-11-9(8-5-14-2-3-17-8)6(12)4-7(13)10(11)15/h4,8,14-15H,2-3,5H2,1H3
InChIKeyVNLPNRHMALQZLW-UHFFFAOYSA-N
MW306.13 g/mol
LogP1.96
Rot. Bonds2

About 4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol

4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol (PubChem CID 117491098) has the molecular formula C11H13BrFNO3 and a molecular weight of 306.13 g/mol. Its IUPAC name is 4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol.

Molecular Properties

Compound Name4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol
PubChem CID117491098
Molecular FormulaC11H13BrFNO3
Molecular Weight306.13 g/mol
Exact Mass305.01
IUPAC Name4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol
SMILESCOc1c(O)c(F)cc(Br)c1C1CNCCO1
InChIInChI=1S/C11H13BrFNO3/c1-16-11-9(8-5-14-2-3-17-8)6(12)4-7(13)10(11)15/h4,8,14-15H,2-3,5H2,1H3
InChIKeyVNLPNRHMALQZLW-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.13
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol
CID 117491089
6-bromo-3,4-difluoro-2-morpholin-2-ylphenol
CID 117474310
3-fluoro-2-methoxy-5-morpholin-2-ylphenol
CID 117326493
3-fluoro-6-methoxy-2-morpholin-2-ylphenol
CID 117326498
3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol
CID 117437042
2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine
CID 117483768
3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol
CID 115004627
methyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate
CID 117390616
2-(3-bromo-2-methoxy-5-methylphenyl)morpholine
CID 115004626
4-chloro-2-methoxy-3,5-dimethyl-6-morpholin-2-ylphenol
CID 117432136
2-methoxy-3,6-dimethyl-4-morpholin-2-ylphenol
CID 117346877
3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol
CID 117397860

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol?
The IUPAC name of 4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol (CID 117491098) is 4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol.
What is the SMILES notation for 4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol?
The canonical SMILES for 4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol is COc1c(O)c(F)cc(Br)c1C1CNCCO1.
What is the InChIKey of 4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol?
The InChIKey is VNLPNRHMALQZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO3/c1-16-11-9(8-5-14-2-3-17-8)6(12)4-7(13)10(11)15/h4,8,14-15H,2-3,5H2,1H3.
What are the key properties of 4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol?
4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol has a molecular weight of 306.13 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol is sourced from PubChem (CID 117491098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).