8-fluoro-2-[(4-methylphenoxy)methyl]quinoline

C17H14FNO — CID 142083904

IUPAC8-fluoro-2-[(4-methylphenoxy)methyl]quinoline
SMILESCc1ccc(OCc2ccc3cccc(F)c3n2)cc1
InChIInChI=1S/C17H14FNO/c1-12-5-9-15(10-6-12)20-11-14-8-7-13-3-2-4-16(18)17(13)19-14/h2-10H,11H2,1H3
InChIKeyXCNBFSIUBVOXDO-UHFFFAOYSA-N
MW267.30 g/mol
LogP4.26
Rot. Bonds3

About 8-fluoro-2-[(4-methylphenoxy)methyl]quinoline

8-fluoro-2-[(4-methylphenoxy)methyl]quinoline (PubChem CID 142083904) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 8-fluoro-2-[(4-methylphenoxy)methyl]quinoline.

Molecular Properties

Compound Name8-fluoro-2-[(4-methylphenoxy)methyl]quinoline
PubChem CID142083904
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name8-fluoro-2-[(4-methylphenoxy)methyl]quinoline
SMILESCc1ccc(OCc2ccc3cccc(F)c3n2)cc1
InChIInChI=1S/C17H14FNO/c1-12-5-9-15(10-6-12)20-11-14-8-7-13-3-2-4-16(18)17(13)19-14/h2-10H,11H2,1H3
InChIKeyXCNBFSIUBVOXDO-UHFFFAOYSA-N
XLogP4.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-2-[(4-methylphenoxy)methyl]-1H-indole
CID 117183696
7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene
CID 117183285
methyl 4-[(8-hydroxyquinolin-2-yl)methoxy]benzoate
CID 139816783
3-(8-fluoroquinolin-2-yl)-2-methylpropanoic acid
CID 82243060
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
5-methyl-2-(phenoxymethyl)pyridine
CID 123739450
2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol
CID 117182822
7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117183055
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
4-[(4-methylphenoxy)methyl]pyrimidine
CID 70843199
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[(4-methylphenoxy)methyl]quinoline?
The IUPAC name of 8-fluoro-2-[(4-methylphenoxy)methyl]quinoline (CID 142083904) is 8-fluoro-2-[(4-methylphenoxy)methyl]quinoline.
What is the SMILES notation for 8-fluoro-2-[(4-methylphenoxy)methyl]quinoline?
The canonical SMILES for 8-fluoro-2-[(4-methylphenoxy)methyl]quinoline is Cc1ccc(OCc2ccc3cccc(F)c3n2)cc1.
What is the InChIKey of 8-fluoro-2-[(4-methylphenoxy)methyl]quinoline?
The InChIKey is XCNBFSIUBVOXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c1-12-5-9-15(10-6-12)20-11-14-8-7-13-3-2-4-16(18)17(13)19-14/h2-10H,11H2,1H3.
What are the key properties of 8-fluoro-2-[(4-methylphenoxy)methyl]quinoline?
8-fluoro-2-[(4-methylphenoxy)methyl]quinoline has a molecular weight of 267.30 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[(4-methylphenoxy)methyl]quinoline is sourced from PubChem (CID 142083904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).