1-isoquinolin-5-yl-2-phenylpropan-1-ol

C18H17NO — CID 63899974

IUPAC1-isoquinolin-5-yl-2-phenylpropan-1-ol
SMILESCC(c1ccccc1)C(O)c1cccc2cnccc12
InChIInChI=1S/C18H17NO/c1-13(14-6-3-2-4-7-14)18(20)17-9-5-8-15-12-19-11-10-16(15)17/h2-13,18,20H,1H3
InChIKeyUKHDGRPLMNEAHV-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.07
Rot. Bonds3

About 1-isoquinolin-5-yl-2-phenylpropan-1-ol

1-isoquinolin-5-yl-2-phenylpropan-1-ol (PubChem CID 63899974) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-2-phenylpropan-1-ol.

Molecular Properties

Compound Name1-isoquinolin-5-yl-2-phenylpropan-1-ol
PubChem CID63899974
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-isoquinolin-5-yl-2-phenylpropan-1-ol
SMILESCC(c1ccccc1)C(O)c1cccc2cnccc12
InChIInChI=1S/C18H17NO/c1-13(14-6-3-2-4-7-14)18(20)17-9-5-8-15-12-19-11-10-16(15)17/h2-13,18,20H,1H3
InChIKeyUKHDGRPLMNEAHV-UHFFFAOYSA-N
XLogP4.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-naphthalen-1-yl-2-phenylpropan-1-ol
CID 11161331
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
isoquinolin-5-yl(phenyl)methanamine
CID 55118760
1-isoquinolin-5-yl-3-sulfanylpropane-1,2-diol
CID 170820096
isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349
1-isoquinolin-5-yl-3-(methylamino)propane-1,2-diol
CID 171858165
4-bromo-1-isoquinolin-5-ylbutane-1,2-diol
CID 171892229
1-isoquinolin-8-yl-2-phenylbutan-1-ol
CID 103139135
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
(2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 62813520
(2-iodophenyl)-isoquinolin-5-ylmethanol
CID 115794969
(2-aminophenyl)-isoquinolin-5-ylmethanol
CID 64832372

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-2-phenylpropan-1-ol?
The IUPAC name of 1-isoquinolin-5-yl-2-phenylpropan-1-ol (CID 63899974) is 1-isoquinolin-5-yl-2-phenylpropan-1-ol.
What is the SMILES notation for 1-isoquinolin-5-yl-2-phenylpropan-1-ol?
The canonical SMILES for 1-isoquinolin-5-yl-2-phenylpropan-1-ol is CC(c1ccccc1)C(O)c1cccc2cnccc12.
What is the InChIKey of 1-isoquinolin-5-yl-2-phenylpropan-1-ol?
The InChIKey is UKHDGRPLMNEAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-13(14-6-3-2-4-7-14)18(20)17-9-5-8-15-12-19-11-10-16(15)17/h2-13,18,20H,1H3.
What are the key properties of 1-isoquinolin-5-yl-2-phenylpropan-1-ol?
1-isoquinolin-5-yl-2-phenylpropan-1-ol has a molecular weight of 263.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-2-phenylpropan-1-ol is sourced from PubChem (CID 63899974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).