1-isoquinolin-4-yl-1-phenylpropan-1-ol

C18H17NO — CID 63938586

IUPAC1-isoquinolin-4-yl-1-phenylpropan-1-ol
SMILESCCC(O)(c1ccccc1)c1cncc2ccccc12
InChIInChI=1S/C18H17NO/c1-2-18(20,15-9-4-3-5-10-15)17-13-19-12-14-8-6-7-11-16(14)17/h3-13,20H,2H2,1H3
InChIKeyIHXAIXVCZGISQU-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.88
Rot. Bonds3

About 1-isoquinolin-4-yl-1-phenylpropan-1-ol

1-isoquinolin-4-yl-1-phenylpropan-1-ol (PubChem CID 63938586) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name1-isoquinolin-4-yl-1-phenylpropan-1-ol
PubChem CID63938586
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-isoquinolin-4-yl-1-phenylpropan-1-ol
SMILESCCC(O)(c1ccccc1)c1cncc2ccccc12
InChIInChI=1S/C18H17NO/c1-2-18(20,15-9-4-3-5-10-15)17-13-19-12-14-8-6-7-11-16(14)17/h3-13,20H,2H2,1H3
InChIKeyIHXAIXVCZGISQU-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-1-phenylpropan-1-ol?
The IUPAC name of 1-isoquinolin-4-yl-1-phenylpropan-1-ol (CID 63938586) is 1-isoquinolin-4-yl-1-phenylpropan-1-ol.
What is the SMILES notation for 1-isoquinolin-4-yl-1-phenylpropan-1-ol?
The canonical SMILES for 1-isoquinolin-4-yl-1-phenylpropan-1-ol is CCC(O)(c1ccccc1)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-1-phenylpropan-1-ol?
The InChIKey is IHXAIXVCZGISQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-2-18(20,15-9-4-3-5-10-15)17-13-19-12-14-8-6-7-11-16(14)17/h3-13,20H,2H2,1H3.
What are the key properties of 1-isoquinolin-4-yl-1-phenylpropan-1-ol?
1-isoquinolin-4-yl-1-phenylpropan-1-ol has a molecular weight of 263.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-1-phenylpropan-1-ol is sourced from PubChem (CID 63938586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).