(3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol

C17H14FNO2 — CID 103138898

IUPAC(3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol
SMILESCOc1ccc(C(O)c2cccc3ccncc23)cc1F
InChIInChI=1S/C17H14FNO2/c1-21-16-6-5-12(9-15(16)18)17(20)13-4-2-3-11-7-8-19-10-14(11)13/h2-10,17,20H,1H3
InChIKeySIEGHTMDFFTTBZ-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.46
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol

(3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol (PubChem CID 103138898) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol
PubChem CID103138898
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name(3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol
SMILESCOc1ccc(C(O)c2cccc3ccncc23)cc1F
InChIInChI=1S/C17H14FNO2/c1-21-16-6-5-12(9-15(16)18)17(20)13-4-2-3-11-7-8-19-10-14(11)13/h2-10,17,20H,1H3
InChIKeySIEGHTMDFFTTBZ-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

(3-fluoro-4-methoxyphenyl)-naphthalen-1-ylmethanol
CID 61080907
isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol
CID 103139324
isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol
CID 103139118
(4-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329
(3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139395
(3,4-difluorophenyl)-isoquinolin-5-ylmethanol
CID 62813501
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139157
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139380
(3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol
CID 62795072
(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol
CID 103139219
(4-cyclopropylphenyl)-isoquinolin-8-ylmethanol
CID 103142969
(5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139004

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol (CID 103138898) is (3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol is COc1ccc(C(O)c2cccc3ccncc23)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol?
The InChIKey is SIEGHTMDFFTTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-21-16-6-5-12(9-15(16)18)17(20)13-4-2-3-11-7-8-19-10-14(11)13/h2-10,17,20H,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol?
(3-fluoro-4-methoxyphenyl)-isoquinolin-8-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 (3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol is sourced from PubChem (CID 103138898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).