1-isoquinolin-8-yl-2-phenylbutan-1-ol

C19H19NO — CID 103139135

IUPAC1-isoquinolin-8-yl-2-phenylbutan-1-ol
SMILESCCC(c1ccccc1)C(O)c1cccc2ccncc12
InChIInChI=1S/C19H19NO/c1-2-16(14-7-4-3-5-8-14)19(21)17-10-6-9-15-11-12-20-13-18(15)17/h3-13,16,19,21H,2H2,1H3
InChIKeyHKYZBXBDJTYHGX-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.46
Rot. Bonds4

About 1-isoquinolin-8-yl-2-phenylbutan-1-ol

1-isoquinolin-8-yl-2-phenylbutan-1-ol (PubChem CID 103139135) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-2-phenylbutan-1-ol.

Molecular Properties

Compound Name1-isoquinolin-8-yl-2-phenylbutan-1-ol
PubChem CID103139135
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-isoquinolin-8-yl-2-phenylbutan-1-ol
SMILESCCC(c1ccccc1)C(O)c1cccc2ccncc12
InChIInChI=1S/C19H19NO/c1-2-16(14-7-4-3-5-8-14)19(21)17-10-6-9-15-11-12-20-13-18(15)17/h3-13,16,19,21H,2H2,1H3
InChIKeyHKYZBXBDJTYHGX-UHFFFAOYSA-N
XLogP4.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-8-yl-2-methylpentan-1-ol
CID 103139250
ethyl 2,3-dihydroxy-3-isoquinolin-8-ylpropanoate
CID 171866326
1-isoquinolin-5-yl-2-phenylpropan-1-ol
CID 63899974
1-isoquinolin-8-ylpentan-1-ol
CID 103138987
1-isoquinolin-8-yl-2-phenylsulfanylethanol
CID 103139302
1-(2-chlorophenyl)-2-phenylbutan-1-ol
CID 114980516
ethyl 3,4-dihydroxy-4-isoquinolin-8-ylbutanoate
CID 171897607
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
(3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol
CID 103142939
(4-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329
2-hydroxy-1-isoquinolin-8-yl-2-phenylethanone
CID 103458218
N-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide
CID 171883274

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-2-phenylbutan-1-ol?
The IUPAC name of 1-isoquinolin-8-yl-2-phenylbutan-1-ol (CID 103139135) is 1-isoquinolin-8-yl-2-phenylbutan-1-ol.
What is the SMILES notation for 1-isoquinolin-8-yl-2-phenylbutan-1-ol?
The canonical SMILES for 1-isoquinolin-8-yl-2-phenylbutan-1-ol is CCC(c1ccccc1)C(O)c1cccc2ccncc12.
What is the InChIKey of 1-isoquinolin-8-yl-2-phenylbutan-1-ol?
The InChIKey is HKYZBXBDJTYHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-2-16(14-7-4-3-5-8-14)19(21)17-10-6-9-15-11-12-20-13-18(15)17/h3-13,16,19,21H,2H2,1H3.
What are the key properties of 1-isoquinolin-8-yl-2-phenylbutan-1-ol?
1-isoquinolin-8-yl-2-phenylbutan-1-ol has a molecular weight of 277.37 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-2-phenylbutan-1-ol is sourced from PubChem (CID 103139135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).