4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol

C22H16FNO2 — CID 67026414

IUPAC4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol
SMILESOc1ccc(F)cc1-c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C22H16FNO2/c23-17-8-12-22(25)20(13-17)15-6-10-19(11-7-15)26-14-18-9-5-16-3-1-2-4-21(16)24-18/h1-13,25H,14H2
InChIKeyJMOVPUXWAPWWLE-UHFFFAOYSA-N
MW345.37 g/mol
LogP5.33
Rot. Bonds4

About 4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol

4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol (PubChem CID 67026414) has the molecular formula C22H16FNO2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol
PubChem CID67026414
Molecular FormulaC22H16FNO2
Molecular Weight345.37 g/mol
Exact Mass345.12
IUPAC Name4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol
SMILESOc1ccc(F)cc1-c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C22H16FNO2/c23-17-8-12-22(25)20(13-17)15-6-10-19(11-7-15)26-14-18-9-5-16-3-1-2-4-21(16)24-18/h1-13,25H,14H2
InChIKeyJMOVPUXWAPWWLE-UHFFFAOYSA-N
XLogP5.33
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.37
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(2,4-difluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate
CID 122196415
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
CID 23224654
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 11668304
quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate
CID 68576822
2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 14650385
1-(4-fluorophenoxy)-3-quinolin-2-ylpropan-2-ol
CID 166010606
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol?
The IUPAC name of 4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol (CID 67026414) is 4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol.
What is the SMILES notation for 4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol?
The canonical SMILES for 4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol is Oc1ccc(F)cc1-c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol?
The InChIKey is JMOVPUXWAPWWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO2/c23-17-8-12-22(25)20(13-17)15-6-10-19(11-7-15)26-14-18-9-5-16-3-1-2-4-21(16)24-18/h1-13,25H,14H2.
What are the key properties of 4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol?
4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol has a molecular weight of 345.37 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol is sourced from PubChem (CID 67026414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).