2-[(4-chloro-3-fluorophenoxy)methyl]quinoline

C16H11ClFNO — CID 82727045

IUPAC2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
SMILESFc1cc(OCc2ccc3ccccc3n2)ccc1Cl
InChIInChI=1S/C16H11ClFNO/c17-14-8-7-13(9-15(14)18)20-10-12-6-5-11-3-1-2-4-16(11)19-12/h1-9H,10H2
InChIKeyXGEMWZIFEKURFU-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.61
Rot. Bonds3

About 2-[(4-chloro-3-fluorophenoxy)methyl]quinoline

2-[(4-chloro-3-fluorophenoxy)methyl]quinoline (PubChem CID 82727045) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is 2-[(4-chloro-3-fluorophenoxy)methyl]quinoline.

Molecular Properties

Compound Name2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
PubChem CID82727045
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
SMILESFc1cc(OCc2ccc3ccccc3n2)ccc1Cl
InChIInChI=1S/C16H11ClFNO/c17-14-8-7-13(9-15(14)18)20-10-12-6-5-11-3-1-2-4-16(11)19-12/h1-9H,10H2
InChIKeyXGEMWZIFEKURFU-UHFFFAOYSA-N
XLogP4.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
[6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 106908576
quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate
CID 68576822
3-chloro-6-[(4-chloro-3-fluorophenoxy)methyl]pyridazine
CID 104514281
6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
CID 23224654
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 14650385
3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline
CID 43351628
4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine
CID 82716789
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-fluorophenoxy)methyl]quinoline?
The IUPAC name of 2-[(4-chloro-3-fluorophenoxy)methyl]quinoline (CID 82727045) is 2-[(4-chloro-3-fluorophenoxy)methyl]quinoline.
What is the SMILES notation for 2-[(4-chloro-3-fluorophenoxy)methyl]quinoline?
The canonical SMILES for 2-[(4-chloro-3-fluorophenoxy)methyl]quinoline is Fc1cc(OCc2ccc3ccccc3n2)ccc1Cl.
What is the InChIKey of 2-[(4-chloro-3-fluorophenoxy)methyl]quinoline?
The InChIKey is XGEMWZIFEKURFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c17-14-8-7-13(9-15(14)18)20-10-12-6-5-11-3-1-2-4-16(11)19-12/h1-9H,10H2.
What are the key properties of 2-[(4-chloro-3-fluorophenoxy)methyl]quinoline?
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline has a molecular weight of 287.72 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-fluorophenoxy)methyl]quinoline is sourced from PubChem (CID 82727045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).