[1-(3-fluoro-4-methylphenoxy)isoquinolin-3-yl]methanol

C17H14FNO2 — CID 107170110

IUPAC[1-(3-fluoro-4-methylphenoxy)isoquinolin-3-yl]methanol
SMILESCc1ccc(Oc2nc(CO)cc3ccccc23)cc1F
InChIInChI=1S/C17H14FNO2/c1-11-6-7-14(9-16(11)18)21-17-15-5-3-2-4-12(15)8-13(10-20)19-17/h2-9,20H,10H2,1H3
InChIKeyKYWZTACTDFOPMH-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.97
Rot. Bonds3

About [1-(3-fluoro-4-methylphenoxy)isoquinolin-3-yl]methanol

[1-(3-fluoro-4-methylphenoxy)isoquinolin-3-yl]methanol (PubChem CID 107170110) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is [1-(3-fluoro-4-methylphenoxy)isoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-fluoro-4-methylphenoxy)isoquinolin-3-yl]methanol
PubChem CID107170110
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name[1-(3-fluoro-4-methylphenoxy)isoquinolin-3-yl]methanol
SMILESCc1ccc(Oc2nc(CO)cc3ccccc23)cc1F
InChIInChI=1S/C17H14FNO2/c1-11-6-7-14(9-16(11)18)21-17-15-5-3-2-4-12(15)8-13(10-20)19-17/h2-9,20H,10H2,1H3
InChIKeyKYWZTACTDFOPMH-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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Related Compounds

[1-(3,5-dimethylphenoxy)isoquinolin-3-yl]methanol
CID 61255876
[2-(3-fluoro-4-methylphenoxy)quinolin-3-yl]methanol
CID 107169696
[1-(3,5-dichlorophenoxy)isoquinolin-3-yl]methanol
CID 61256323
(1-pyridin-3-yloxyisoquinolin-3-yl)methanol
CID 61256067
[1-(4-bromo-3-fluorophenoxy)isoquinolin-3-yl]methanamine
CID 65201053
4-(3-fluoro-4-methylphenoxy)-N-methylquinazolin-2-amine
CID 107171754
[2-(3-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 107169942
[1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine
CID 62298170
[1-(4-bromo-2-chlorophenoxy)isoquinolin-3-yl]methanol
CID 61255890
3-[3-(hydroxymethyl)isoquinolin-1-yl]oxypropan-1-ol
CID 61255721
[1-(3-methoxypropoxy)isoquinolin-3-yl]methanol
CID 61258186
[5-chloro-6-(3-fluoro-4-methylphenoxy)-3-pyridinyl]methanol
CID 107170106

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-4-methylphenoxy)isoquinolin-3-yl]methanol?
The IUPAC name of [1-(3-fluoro-4-methylphenoxy)isoquinolin-3-yl]methanol (CID 107170110) is [1-(3-fluoro-4-methylphenoxy)isoquinolin-3-yl]methanol.
What is the SMILES notation for [1-(3-fluoro-4-methylphenoxy)isoquinolin-3-yl]methanol?
The canonical SMILES for [1-(3-fluoro-4-methylphenoxy)isoquinolin-3-yl]methanol is Cc1ccc(Oc2nc(CO)cc3ccccc23)cc1F.
What is the InChIKey of [1-(3-fluoro-4-methylphenoxy)isoquinolin-3-yl]methanol?
The InChIKey is KYWZTACTDFOPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-11-6-7-14(9-16(11)18)21-17-15-5-3-2-4-12(15)8-13(10-20)19-17/h2-9,20H,10H2,1H3.
What are the key properties of [1-(3-fluoro-4-methylphenoxy)isoquinolin-3-yl]methanol?
[1-(3-fluoro-4-methylphenoxy)isoquinolin-3-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 [1-(3-fluoro-4-methylphenoxy)isoquinolin-3-yl]methanol is sourced from PubChem (CID 107170110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).