3-[(4-fluorophenoxy)methyl]quinoline

C16H12FNO — CID 174564086

IUPAC3-[(4-fluorophenoxy)methyl]quinoline
SMILESFc1ccc(OCc2cnc3ccccc3c2)cc1
InChIInChI=1S/C16H12FNO/c17-14-5-7-15(8-6-14)19-11-12-9-13-3-1-2-4-16(13)18-10-12/h1-10H,11H2
InChIKeyFGUVJTUZSLJIQC-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.95
Rot. Bonds3

About 3-[(4-fluorophenoxy)methyl]quinoline

3-[(4-fluorophenoxy)methyl]quinoline (PubChem CID 174564086) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]quinoline.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]quinoline
PubChem CID174564086
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name3-[(4-fluorophenoxy)methyl]quinoline
SMILESFc1ccc(OCc2cnc3ccccc3c2)cc1
InChIInChI=1S/C16H12FNO/c17-14-5-7-15(8-6-14)19-11-12-9-13-3-1-2-4-16(13)18-10-12/h1-10H,11H2
InChIKeyFGUVJTUZSLJIQC-UHFFFAOYSA-N
XLogP3.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(quinolin-3-ylmethoxy)aniline
CID 19733697
3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline
CID 18678270
3-(2-phenoxyethyl)quinoline
CID 54129983
6-[(4-fluorophenyl)methoxy]quinoline
CID 60595158
3-[(6-deuterio-2-pyridinyl)oxymethyl]quinoline
CID 175710410
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
quinolin-3-ylmethyl acetate
CID 101032812
3-(2,2,2-trifluoroethyl)quinoline
CID 102230069
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
4-[(4-fluorophenoxy)methyl]-1,2-oxazole
CID 61227729
3-(4-fluorophenyl)-N-(quinolin-3-ylmethyl)propanamide
CID 110733799
2-quinolin-3-ylethanol
CID 53403774

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]quinoline?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]quinoline (CID 174564086) is 3-[(4-fluorophenoxy)methyl]quinoline.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]quinoline?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]quinoline is Fc1ccc(OCc2cnc3ccccc3c2)cc1.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]quinoline?
The InChIKey is FGUVJTUZSLJIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c17-14-5-7-15(8-6-14)19-11-12-9-13-3-1-2-4-16(13)18-10-12/h1-10H,11H2.
What are the key properties of 3-[(4-fluorophenoxy)methyl]quinoline?
3-[(4-fluorophenoxy)methyl]quinoline has a molecular weight of 253.28 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenoxy)methyl]quinoline is sourced from PubChem (CID 174564086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).