(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol

C12H12BrFO2 — CID 115831581

IUPAC(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
SMILESOC(C1=COCCC1)c1cc(F)ccc1Br
InChIInChI=1S/C12H12BrFO2/c13-11-4-3-9(14)6-10(11)12(15)8-2-1-5-16-7-8/h3-4,6-7,12,15H,1-2,5H2
InChIKeyOWKSSMHHFUHKED-UHFFFAOYSA-N
MW287.13 g/mol
LogP3.32
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol

(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol (PubChem CID 115831581) has the molecular formula C12H12BrFO2 and a molecular weight of 287.13 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
PubChem CID115831581
Molecular FormulaC12H12BrFO2
Molecular Weight287.13 g/mol
Exact Mass286.00
IUPAC Name(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
SMILESOC(C1=COCCC1)c1cc(F)ccc1Br
InChIInChI=1S/C12H12BrFO2/c13-11-4-3-9(14)6-10(11)12(15)8-2-1-5-16-7-8/h3-4,6-7,12,15H,1-2,5H2
InChIKeyOWKSSMHHFUHKED-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol?
The IUPAC name of (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol (CID 115831581) is (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol is OC(C1=COCCC1)c1cc(F)ccc1Br.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol?
The InChIKey is OWKSSMHHFUHKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFO2/c13-11-4-3-9(14)6-10(11)12(15)8-2-1-5-16-7-8/h3-4,6-7,12,15H,1-2,5H2.
What are the key properties of (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol?
(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol has a molecular weight of 287.13 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol is sourced from PubChem (CID 115831581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).