(2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol

C17H14FNO2 — CID 82792775

IUPAC(2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol
SMILESCOc1cccc(C(O)c2nccc3ccccc23)c1F
InChIInChI=1S/C17H14FNO2/c1-21-14-8-4-7-13(15(14)18)17(20)16-12-6-3-2-5-11(12)9-10-19-16/h2-10,17,20H,1H3
InChIKeyUCNGPCADMPAOOD-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.46
Rot. Bonds3

About (2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol

(2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol (PubChem CID 82792775) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol
PubChem CID82792775
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name(2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol
SMILESCOc1cccc(C(O)c2nccc3ccccc23)c1F
InChIInChI=1S/C17H14FNO2/c1-21-14-8-4-7-13(15(14)18)17(20)16-12-6-3-2-5-11(12)9-10-19-16/h2-10,17,20H,1H3
InChIKeyUCNGPCADMPAOOD-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluoro-4-methylphenyl)-isoquinolin-1-ylmethanol
CID 107512883
isoquinolin-1-yl-(4-methoxyphenyl)methanol
CID 4211286
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791
(2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol
CID 114282584
1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 82805523
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
CID 170819054
isoquinolin-1-ylmethanediol
CID 57261748
(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol
CID 125479415
(4-butyl-3-methoxyphenyl)-isoquinolin-1-ylmethanol
CID 59715624
(2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 114554105

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol (CID 82792775) is (2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol is COc1cccc(C(O)c2nccc3ccccc23)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol?
The InChIKey is UCNGPCADMPAOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-21-14-8-4-7-13(15(14)18)17(20)16-12-6-3-2-5-11(12)9-10-19-16/h2-10,17,20H,1H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol?
(2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol has a molecular weight of 283.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol is sourced from PubChem (CID 82792775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).