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

C11H13BrFNO3 — CID 117491089

IUPAC4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol
SMILESCOc1c(Br)cc(C2CNCCO2)c(O)c1F
InChIInChI=1S/C11H13BrFNO3/c1-16-11-7(12)4-6(10(15)9(11)13)8-5-14-2-3-17-8/h4,8,14-15H,2-3,5H2,1H3
InChIKeyPBPIGQQNIVTFMA-UHFFFAOYSA-N
MW306.13 g/mol
LogP1.96
Rot. Bonds2

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

4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol (PubChem CID 117491089) has the molecular formula C11H13BrFNO3 and a molecular weight of 306.13 g/mol. Its IUPAC name is 4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol.

Molecular Properties

Compound Name4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol
PubChem CID117491089
Molecular FormulaC11H13BrFNO3
Molecular Weight306.13 g/mol
Exact Mass305.01
IUPAC Name4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol
SMILESCOc1c(Br)cc(C2CNCCO2)c(O)c1F
InChIInChI=1S/C11H13BrFNO3/c1-16-11-7(12)4-6(10(15)9(11)13)8-5-14-2-3-17-8/h4,8,14-15H,2-3,5H2,1H3
InChIKeyPBPIGQQNIVTFMA-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-2-fluoro-3-methoxy-6-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-6-fluoro-2-methoxy-3-morpholin-2-ylphenol
CID 117491098
2-(3-bromo-2-methoxy-5-methylphenyl)morpholine
CID 115004626
4-bromo-2-methoxy-6-morpholin-2-ylphenol
CID 117464726
4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol
CID 117489228
3-fluoro-2-methoxy-5-morpholin-2-ylphenol
CID 117326493
2-methoxy-3,6-dimethyl-4-morpholin-2-ylphenol
CID 117346877
2-methoxy-5,6-dimethyl-3-morpholin-2-ylphenol
CID 117346862
2-(5-fluoro-2,3-dimethoxyphenyl)morpholine
CID 117354893
4-bromo-2-methyl-6-morpholin-2-ylphenol
CID 117432760
2,3-difluoro-6-morpholin-2-ylphenol
CID 84783760
6-bromo-3,4-difluoro-2-morpholin-2-ylphenol
CID 117474310
2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine
CID 117463646

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol?
The IUPAC name of 4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol (CID 117491089) is 4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol.
What is the SMILES notation for 4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol?
The canonical SMILES for 4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol is COc1c(Br)cc(C2CNCCO2)c(O)c1F.
What is the InChIKey of 4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol?
The InChIKey is PBPIGQQNIVTFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO3/c1-16-11-7(12)4-6(10(15)9(11)13)8-5-14-2-3-17-8/h4,8,14-15H,2-3,5H2,1H3.
What are the key properties of 4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol?
4-bromo-2-fluoro-3-methoxy-6-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-2-fluoro-3-methoxy-6-morpholin-2-ylphenol is sourced from PubChem (CID 117491089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).