1-isoquinolin-1-yl-3-phenylpropan-1-ol

C18H17NO — CID 63950464

IUPAC1-isoquinolin-1-yl-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1nccc2ccccc12
InChIInChI=1S/C18H17NO/c20-17(11-10-14-6-2-1-3-7-14)18-16-9-5-4-8-15(16)12-13-19-18/h1-9,12-13,17,20H,10-11H2
InChIKeyMQAOKYQJQJCHEQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.90
Rot. Bonds4

About 1-isoquinolin-1-yl-3-phenylpropan-1-ol

1-isoquinolin-1-yl-3-phenylpropan-1-ol (PubChem CID 63950464) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-isoquinolin-1-yl-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-isoquinolin-1-yl-3-phenylpropan-1-ol
PubChem CID63950464
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-isoquinolin-1-yl-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1nccc2ccccc12
InChIInChI=1S/C18H17NO/c20-17(11-10-14-6-2-1-3-7-14)18-16-9-5-4-8-15(16)12-13-19-18/h1-9,12-13,17,20H,10-11H2
InChIKeyMQAOKYQJQJCHEQ-UHFFFAOYSA-N
XLogP3.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-5-phenylpent-1-en-3-yl]isoquinoline
CID 162411621
1-isoquinolin-1-yl-4-phenylbutan-1-amine
CID 63950465
(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol
CID 125479415
isoquinolin-1-ylmethanediol
CID 57261748
2-isoquinolin-1-yl-3-phenylpropanoic acid
CID 104571632
(1S)-2-(tert-butylamino)-1-isoquinolin-1-ylethanol
CID 155154320
2-(3-chloro-4-fluorophenyl)-1-isoquinolin-1-ylethanol
CID 103039584
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
1-isoquinolin-1-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112642535
1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
CID 114474755
1-isoquinolin-1-yl-4-(methylamino)butane-1,2-diol
CID 171890434
isoquinolin-1-yl-(4-propylphenyl)methanamine
CID 63949863

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-yl-3-phenylpropan-1-ol?
The IUPAC name of 1-isoquinolin-1-yl-3-phenylpropan-1-ol (CID 63950464) is 1-isoquinolin-1-yl-3-phenylpropan-1-ol.
What is the SMILES notation for 1-isoquinolin-1-yl-3-phenylpropan-1-ol?
The canonical SMILES for 1-isoquinolin-1-yl-3-phenylpropan-1-ol is OC(CCc1ccccc1)c1nccc2ccccc12.
What is the InChIKey of 1-isoquinolin-1-yl-3-phenylpropan-1-ol?
The InChIKey is MQAOKYQJQJCHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c20-17(11-10-14-6-2-1-3-7-14)18-16-9-5-4-8-15(16)12-13-19-18/h1-9,12-13,17,20H,10-11H2.
What are the key properties of 1-isoquinolin-1-yl-3-phenylpropan-1-ol?
1-isoquinolin-1-yl-3-phenylpropan-1-ol has a molecular weight of 263.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-yl-3-phenylpropan-1-ol is sourced from PubChem (CID 63950464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).