2-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol

C17H13ClFNO — CID 69040990

IUPAC2-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol
SMILESOCCc1cc2cccc(Cl)c2nc1-c1cccc(F)c1
InChIInChI=1S/C17H13ClFNO/c18-15-6-2-4-11-9-13(7-8-21)16(20-17(11)15)12-3-1-5-14(19)10-12/h1-6,9-10,21H,7-8H2
InChIKeyCULJZCSPPFJMMJ-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.23
Rot. Bonds3

About 2-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol

2-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol (PubChem CID 69040990) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is 2-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol.

Molecular Properties

Compound Name2-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol
PubChem CID69040990
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name2-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol
SMILESOCCc1cc2cccc(Cl)c2nc1-c1cccc(F)c1
InChIInChI=1S/C17H13ClFNO/c18-15-6-2-4-11-9-13(7-8-21)16(20-17(11)15)12-3-1-5-14(19)10-12/h1-6,9-10,21H,7-8H2
InChIKeyCULJZCSPPFJMMJ-UHFFFAOYSA-N
XLogP4.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol?
The IUPAC name of 2-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol (CID 69040990) is 2-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol.
What is the SMILES notation for 2-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol?
The canonical SMILES for 2-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol is OCCc1cc2cccc(Cl)c2nc1-c1cccc(F)c1.
What is the InChIKey of 2-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol?
The InChIKey is CULJZCSPPFJMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO/c18-15-6-2-4-11-9-13(7-8-21)16(20-17(11)15)12-3-1-5-14(19)10-12/h1-6,9-10,21H,7-8H2.
What are the key properties of 2-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol?
2-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol has a molecular weight of 301.75 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol is sourced from PubChem (CID 69040990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).