3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenol

C21H13ClFNO — CID 8966921

IUPAC3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenol
SMILESOc1cccc(-c2cc(-c3ccccc3F)c3cc(Cl)ccc3n2)c1
InChIInChI=1S/C21H13ClFNO/c22-14-8-9-20-18(11-14)17(16-6-1-2-7-19(16)23)12-21(24-20)13-4-3-5-15(25)10-13/h1-12,25H
InChIKeyYWCXRLKNJZCIOW-UHFFFAOYSA-N
MW349.79 g/mol
LogP6.07
Rot. Bonds2

About 3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenol

3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenol (PubChem CID 8966921) has the molecular formula C21H13ClFNO and a molecular weight of 349.79 g/mol. Its IUPAC name is 3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenol.

Molecular Properties

Compound Name3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenol
PubChem CID8966921
Molecular FormulaC21H13ClFNO
Molecular Weight349.79 g/mol
Exact Mass349.07
IUPAC Name3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenol
SMILESOc1cccc(-c2cc(-c3ccccc3F)c3cc(Cl)ccc3n2)c1
InChIInChI=1S/C21H13ClFNO/c22-14-8-9-20-18(11-14)17(16-6-1-2-7-19(16)23)12-21(24-20)13-4-3-5-15(25)10-13/h1-12,25H
InChIKeyYWCXRLKNJZCIOW-UHFFFAOYSA-N
XLogP6.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.79
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenyl]acetamide
CID 8966981
2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-fluorophenyl)quinoline
CID 8966961
6-chloro-4-(2-fluorophenyl)-2-(2-nitrophenyl)quinoline;hydrochloride
CID 75401799
3-(6-chloro-4-phenylquinolin-2-yl)aniline
CID 8966018
3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride
CID 18285323
2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline
CID 12736047
2-chloro-6-fluoro-4-(2-fluorophenyl)quinoline
CID 21488577
3-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]phenol
CID 28942301
4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride
CID 135591135
6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline
CID 8966968
2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-chlorophenyl)quinoline
CID 8966777
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenol?
The IUPAC name of 3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenol (CID 8966921) is 3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenol.
What is the SMILES notation for 3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenol?
The canonical SMILES for 3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenol is Oc1cccc(-c2cc(-c3ccccc3F)c3cc(Cl)ccc3n2)c1.
What is the InChIKey of 3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenol?
The InChIKey is YWCXRLKNJZCIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFNO/c22-14-8-9-20-18(11-14)17(16-6-1-2-7-19(16)23)12-21(24-20)13-4-3-5-15(25)10-13/h1-12,25H.
What are the key properties of 3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenol?
3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenol has a molecular weight of 349.79 g/mol, XLogP of 6.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenol is sourced from PubChem (CID 8966921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).