[4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol

C17H14FNO2 — CID 110889549

IUPAC[4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol
SMILESOCc1ccc(OCc2ccc(F)c3cccnc23)cc1
InChIInChI=1S/C17H14FNO2/c18-16-8-5-13(17-15(16)2-1-9-19-17)11-21-14-6-3-12(10-20)4-7-14/h1-9,20H,10-11H2
InChIKeyRBNGNHHOMVLIAJ-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.45
Rot. Bonds4

About [4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol

[4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol (PubChem CID 110889549) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is [4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol
PubChem CID110889549
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name[4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol
SMILESOCc1ccc(OCc2ccc(F)c3cccnc23)cc1
InChIInChI=1S/C17H14FNO2/c18-16-8-5-13(17-15(16)2-1-9-19-17)11-21-14-6-3-12(10-20)4-7-14/h1-9,20H,10-11H2
InChIKeyRBNGNHHOMVLIAJ-UHFFFAOYSA-N
XLogP3.45
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol?
The IUPAC name of [4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol (CID 110889549) is [4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol?
The canonical SMILES for [4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol is OCc1ccc(OCc2ccc(F)c3cccnc23)cc1.
What is the InChIKey of [4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol?
The InChIKey is RBNGNHHOMVLIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c18-16-8-5-13(17-15(16)2-1-9-19-17)11-21-14-6-3-12(10-20)4-7-14/h1-9,20H,10-11H2.
What are the key properties of [4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol?
[4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol has a molecular weight of 283.30 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 110889549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).