1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol

C18H17NO — CID 103142671

IUPAC1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(C)(O)c1cccc2ccncc12
InChIInChI=1S/C18H17NO/c1-13-6-3-4-8-16(13)18(2,20)17-9-5-7-14-10-11-19-12-15(14)17/h3-12,20H,1-2H3
InChIKeyFVKAZLSPGRIQFJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.80
Rot. Bonds2

About 1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol

1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol (PubChem CID 103142671) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol
PubChem CID103142671
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(C)(O)c1cccc2ccncc12
InChIInChI=1S/C18H17NO/c1-13-6-3-4-8-16(13)18(2,20)17-9-5-7-14-10-11-19-12-15(14)17/h3-12,20H,1-2H3
InChIKeyFVKAZLSPGRIQFJ-UHFFFAOYSA-N
XLogP3.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-1-isoquinolin-8-ylethanol
CID 103142678
3-isoquinolin-8-ylpentan-3-ol
CID 103142702
2-isoquinolin-8-yl-1-methoxypropan-2-ol
CID 103142735
2-amino-1-isoquinolin-8-yl-1-phenylethanol
CID 103143061
isoquinolin-8-ol
CID 135441711
2-isoquinolin-5-yl-3-methylpentan-2-ol
CID 62813485
1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol
CID 62811615
9-methylbenzo[g]isoquinoline
CID 167164777
1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
CID 103136230
N-(2-methylphenyl)isoquinoline-8-sulfonamide
CID 167968996
1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine
CID 103143227
1-(tert-butylamino)-2-isoquinolin-5-ylpropan-2-ol
CID 66038703

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol?
The IUPAC name of 1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol (CID 103142671) is 1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol?
The canonical SMILES for 1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol is Cc1ccccc1C(C)(O)c1cccc2ccncc12.
What is the InChIKey of 1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol?
The InChIKey is FVKAZLSPGRIQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-13-6-3-4-8-16(13)18(2,20)17-9-5-7-14-10-11-19-12-15(14)17/h3-12,20H,1-2H3.
What are the key properties of 1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol?
1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol has a molecular weight of 263.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 103142671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).