[2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol

C16H11BrFNO2 — CID 83233363

IUPAC[2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol
SMILESOCc1cc(Oc2ccc(F)c(Br)c2)nc2ccccc12
InChIInChI=1S/C16H11BrFNO2/c17-13-8-11(5-6-14(13)18)21-16-7-10(9-20)12-3-1-2-4-15(12)19-16/h1-8,20H,9H2
InChIKeyPXGDUTAPHBEQSB-UHFFFAOYSA-N
MW348.17 g/mol
LogP4.42
Rot. Bonds3

About [2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol

[2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol (PubChem CID 83233363) has the molecular formula C16H11BrFNO2 and a molecular weight of 348.17 g/mol. Its IUPAC name is [2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol
PubChem CID83233363
Molecular FormulaC16H11BrFNO2
Molecular Weight348.17 g/mol
Exact Mass347.00
IUPAC Name[2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol
SMILESOCc1cc(Oc2ccc(F)c(Br)c2)nc2ccccc12
InChIInChI=1S/C16H11BrFNO2/c17-13-8-11(5-6-14(13)18)21-16-7-10(9-20)12-3-1-2-4-15(12)19-16/h1-8,20H,9H2
InChIKeyPXGDUTAPHBEQSB-UHFFFAOYSA-N
XLogP4.42
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83235131
[2-(3-bromo-4-fluorophenoxy)-3-fluorophenyl]methanol
CID 114067647
2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083
[2-(1-methylpyrazol-4-yl)oxyquinolin-4-yl]methanol
CID 116793268
[4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83234633
[2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol
CID 63648216
4-(chloromethyl)-2-(3-fluorophenoxy)quinoline
CID 61268986
1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine
CID 62297834
2-(3-bromo-4-fluorophenoxy)quinazoline
CID 114788785
[2-(1-propylpyrazol-4-yl)oxyquinolin-4-yl]methanol
CID 116802650
4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine
CID 83235895
2-(4-bromo-3-fluorophenoxy)quinoline
CID 65203173

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol?
The IUPAC name of [2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol (CID 83233363) is [2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol.
What is the SMILES notation for [2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol?
The canonical SMILES for [2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol is OCc1cc(Oc2ccc(F)c(Br)c2)nc2ccccc12.
What is the InChIKey of [2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol?
The InChIKey is PXGDUTAPHBEQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO2/c17-13-8-11(5-6-14(13)18)21-16-7-10(9-20)12-3-1-2-4-15(12)19-16/h1-8,20H,9H2.
What are the key properties of [2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol?
[2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol has a molecular weight of 348.17 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol is sourced from PubChem (CID 83233363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).