(3-bromo-4-fluoro-5-morpholin-4-ylphenyl)methanol

C11H13BrFNO2 — CID 177332356

IUPAC(3-bromo-4-fluoro-5-morpholin-4-ylphenyl)methanol
SMILESOCc1cc(Br)c(F)c(N2CCOCC2)c1
InChIInChI=1S/C11H13BrFNO2/c12-9-5-8(7-15)6-10(11(9)13)14-1-3-16-4-2-14/h5-6,15H,1-4,7H2
InChIKeyYOEDAYGQZGYRQK-UHFFFAOYSA-N
MW290.13 g/mol
LogP1.92
Rot. Bonds2

About (3-bromo-4-fluoro-5-morpholin-4-ylphenyl)methanol

(3-bromo-4-fluoro-5-morpholin-4-ylphenyl)methanol (PubChem CID 177332356) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is (3-bromo-4-fluoro-5-morpholin-4-ylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluoro-5-morpholin-4-ylphenyl)methanol
PubChem CID177332356
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name(3-bromo-4-fluoro-5-morpholin-4-ylphenyl)methanol
SMILESOCc1cc(Br)c(F)c(N2CCOCC2)c1
InChIInChI=1S/C11H13BrFNO2/c12-9-5-8(7-15)6-10(11(9)13)14-1-3-16-4-2-14/h5-6,15H,1-4,7H2
InChIKeyYOEDAYGQZGYRQK-UHFFFAOYSA-N
XLogP1.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluoro-5-morpholin-4-ylphenyl)methanol?
The IUPAC name of (3-bromo-4-fluoro-5-morpholin-4-ylphenyl)methanol (CID 177332356) is (3-bromo-4-fluoro-5-morpholin-4-ylphenyl)methanol.
What is the SMILES notation for (3-bromo-4-fluoro-5-morpholin-4-ylphenyl)methanol?
The canonical SMILES for (3-bromo-4-fluoro-5-morpholin-4-ylphenyl)methanol is OCc1cc(Br)c(F)c(N2CCOCC2)c1.
What is the InChIKey of (3-bromo-4-fluoro-5-morpholin-4-ylphenyl)methanol?
The InChIKey is YOEDAYGQZGYRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c12-9-5-8(7-15)6-10(11(9)13)14-1-3-16-4-2-14/h5-6,15H,1-4,7H2.
What are the key properties of (3-bromo-4-fluoro-5-morpholin-4-ylphenyl)methanol?
(3-bromo-4-fluoro-5-morpholin-4-ylphenyl)methanol has a molecular weight of 290.13 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluoro-5-morpholin-4-ylphenyl)methanol is sourced from PubChem (CID 177332356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).