1-(3-bromo-5-fluorophenyl)-2-quinolin-4-ylethanol

C17H13BrFNO — CID 66424237

IUPAC1-(3-bromo-5-fluorophenyl)-2-quinolin-4-ylethanol
SMILESOC(Cc1ccnc2ccccc12)c1cc(F)cc(Br)c1
InChIInChI=1S/C17H13BrFNO/c18-13-7-12(8-14(19)10-13)17(21)9-11-5-6-20-16-4-2-1-3-15(11)16/h1-8,10,17,21H,9H2
InChIKeyPIWZBSLZPXOHSH-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.41
Rot. Bonds3

About 1-(3-bromo-5-fluorophenyl)-2-quinolin-4-ylethanol

1-(3-bromo-5-fluorophenyl)-2-quinolin-4-ylethanol (PubChem CID 66424237) has the molecular formula C17H13BrFNO and a molecular weight of 346.20 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-quinolin-4-ylethanol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-quinolin-4-ylethanol
PubChem CID66424237
Molecular FormulaC17H13BrFNO
Molecular Weight346.20 g/mol
Exact Mass345.02
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-quinolin-4-ylethanol
SMILESOC(Cc1ccnc2ccccc12)c1cc(F)cc(Br)c1
InChIInChI=1S/C17H13BrFNO/c18-13-7-12(8-14(19)10-13)17(21)9-11-5-6-20-16-4-2-1-3-15(11)16/h1-8,10,17,21H,9H2
InChIKeyPIWZBSLZPXOHSH-UHFFFAOYSA-N
XLogP4.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-quinolin-4-ylethanol?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-quinolin-4-ylethanol (CID 66424237) is 1-(3-bromo-5-fluorophenyl)-2-quinolin-4-ylethanol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-quinolin-4-ylethanol?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-quinolin-4-ylethanol is OC(Cc1ccnc2ccccc12)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-quinolin-4-ylethanol?
The InChIKey is PIWZBSLZPXOHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNO/c18-13-7-12(8-14(19)10-13)17(21)9-11-5-6-20-16-4-2-1-3-15(11)16/h1-8,10,17,21H,9H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-quinolin-4-ylethanol?
1-(3-bromo-5-fluorophenyl)-2-quinolin-4-ylethanol has a molecular weight of 346.20 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-2-quinolin-4-ylethanol is sourced from PubChem (CID 66424237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).