[4-(2-fluoro-3-methylphenoxy)quinolin-2-yl]methanol

C17H14FNO2 — CID 107660035

IUPAC[4-(2-fluoro-3-methylphenoxy)quinolin-2-yl]methanol
SMILESCc1cccc(Oc2cc(CO)nc3ccccc23)c1F
InChIInChI=1S/C17H14FNO2/c1-11-5-4-8-15(17(11)18)21-16-9-12(10-20)19-14-7-3-2-6-13(14)16/h2-9,20H,10H2,1H3
InChIKeyKHHZNGKXPVRHEJ-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.97
Rot. Bonds3

About [4-(2-fluoro-3-methylphenoxy)quinolin-2-yl]methanol

[4-(2-fluoro-3-methylphenoxy)quinolin-2-yl]methanol (PubChem CID 107660035) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is [4-(2-fluoro-3-methylphenoxy)quinolin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-fluoro-3-methylphenoxy)quinolin-2-yl]methanol
PubChem CID107660035
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name[4-(2-fluoro-3-methylphenoxy)quinolin-2-yl]methanol
SMILESCc1cccc(Oc2cc(CO)nc3ccccc23)c1F
InChIInChI=1S/C17H14FNO2/c1-11-5-4-8-15(17(11)18)21-16-9-12(10-20)19-14-7-3-2-6-13(14)16/h2-9,20H,10H2,1H3
InChIKeyKHHZNGKXPVRHEJ-UHFFFAOYSA-N
XLogP3.97
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoro-3-methylphenoxy)quinolin-2-yl]methanol?
The IUPAC name of [4-(2-fluoro-3-methylphenoxy)quinolin-2-yl]methanol (CID 107660035) is [4-(2-fluoro-3-methylphenoxy)quinolin-2-yl]methanol.
What is the SMILES notation for [4-(2-fluoro-3-methylphenoxy)quinolin-2-yl]methanol?
The canonical SMILES for [4-(2-fluoro-3-methylphenoxy)quinolin-2-yl]methanol is Cc1cccc(Oc2cc(CO)nc3ccccc23)c1F.
What is the InChIKey of [4-(2-fluoro-3-methylphenoxy)quinolin-2-yl]methanol?
The InChIKey is KHHZNGKXPVRHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-11-5-4-8-15(17(11)18)21-16-9-12(10-20)19-14-7-3-2-6-13(14)16/h2-9,20H,10H2,1H3.
What are the key properties of [4-(2-fluoro-3-methylphenoxy)quinolin-2-yl]methanol?
[4-(2-fluoro-3-methylphenoxy)quinolin-2-yl]methanol has a molecular weight of 283.30 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoro-3-methylphenoxy)quinolin-2-yl]methanol is sourced from PubChem (CID 107660035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).