4-[(3-fluorophenoxy)methyl]quinoline

C16H12FNO — CID 79240471

IUPAC4-[(3-fluorophenoxy)methyl]quinoline
SMILESFc1cccc(OCc2ccnc3ccccc23)c1
InChIInChI=1S/C16H12FNO/c17-13-4-3-5-14(10-13)19-11-12-8-9-18-16-7-2-1-6-15(12)16/h1-10H,11H2
InChIKeyWVRIXJYMGZWCQZ-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.95
Rot. Bonds3

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

4-[(3-fluorophenoxy)methyl]quinoline (PubChem CID 79240471) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-[(3-fluorophenoxy)methyl]quinoline.

Molecular Properties

Compound Name4-[(3-fluorophenoxy)methyl]quinoline
PubChem CID79240471
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name4-[(3-fluorophenoxy)methyl]quinoline
SMILESFc1cccc(OCc2ccnc3ccccc23)c1
InChIInChI=1S/C16H12FNO/c17-13-4-3-5-14(10-13)19-11-12-8-9-18-16-7-2-1-6-15(12)16/h1-10H,11H2
InChIKeyWVRIXJYMGZWCQZ-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

[3-(quinolin-4-ylmethoxy)phenyl]boronic acid
CID 79231473
2-methyl-4-(quinolin-4-ylmethoxy)aniline
CID 79234978
4-(1H-indol-5-yloxymethyl)quinoline
CID 80648654
6,6,6-trifluoro-2,2-dimethyl-1-[3-(quinolin-4-ylmethoxy)phenyl]hexan-1-ol
CID 21280554
3-fluoro-4-(quinolin-4-ylmethoxy)aniline
CID 79235627
2-[(3-fluorophenoxy)methyl]-3,4-dimethoxypyridine
CID 103174166
4-(3-fluorophenyl)quinoline
CID 141309372
7-[(3-fluorophenoxy)methyl]quinoline
CID 174578180
4-[(2-chlorophenoxy)methyl]quinoline
CID 79241295
3,5-dichloro-4-(quinolin-4-ylmethoxy)aniline
CID 79234359
2-(3-fluorophenyl)-1-quinolin-4-ylethanone
CID 105080568
3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol
CID 117174734

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenoxy)methyl]quinoline?
The IUPAC name of 4-[(3-fluorophenoxy)methyl]quinoline (CID 79240471) is 4-[(3-fluorophenoxy)methyl]quinoline.
What is the SMILES notation for 4-[(3-fluorophenoxy)methyl]quinoline?
The canonical SMILES for 4-[(3-fluorophenoxy)methyl]quinoline is Fc1cccc(OCc2ccnc3ccccc23)c1.
What is the InChIKey of 4-[(3-fluorophenoxy)methyl]quinoline?
The InChIKey is WVRIXJYMGZWCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c17-13-4-3-5-14(10-13)19-11-12-8-9-18-16-7-2-1-6-15(12)16/h1-10H,11H2.
What are the key properties of 4-[(3-fluorophenoxy)methyl]quinoline?
4-[(3-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 4-[(3-fluorophenoxy)methyl]quinoline is sourced from PubChem (CID 79240471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).