4-isoquinolin-1-ylcyclohexan-1-ol

C15H17NO — CID 116995245

IUPAC4-isoquinolin-1-ylcyclohexan-1-ol
SMILESOC1CCC(c2nccc3ccccc23)CC1
InChIInChI=1S/C15H17NO/c17-13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-16-15/h1-4,9-10,12-13,17H,5-8H2
InChIKeyONORLEJTSCROLL-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.25
Rot. Bonds1

About 4-isoquinolin-1-ylcyclohexan-1-ol

4-isoquinolin-1-ylcyclohexan-1-ol (PubChem CID 116995245) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-isoquinolin-1-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-isoquinolin-1-ylcyclohexan-1-ol
PubChem CID116995245
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-isoquinolin-1-ylcyclohexan-1-ol
SMILESOC1CCC(c2nccc3ccccc23)CC1
InChIInChI=1S/C15H17NO/c17-13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-16-15/h1-4,9-10,12-13,17H,5-8H2
InChIKeyONORLEJTSCROLL-UHFFFAOYSA-N
XLogP3.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-isoquinolin-1-ylcyclohexan-1-ol?
The IUPAC name of 4-isoquinolin-1-ylcyclohexan-1-ol (CID 116995245) is 4-isoquinolin-1-ylcyclohexan-1-ol.
What is the SMILES notation for 4-isoquinolin-1-ylcyclohexan-1-ol?
The canonical SMILES for 4-isoquinolin-1-ylcyclohexan-1-ol is OC1CCC(c2nccc3ccccc23)CC1.
What is the InChIKey of 4-isoquinolin-1-ylcyclohexan-1-ol?
The InChIKey is ONORLEJTSCROLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c17-13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-16-15/h1-4,9-10,12-13,17H,5-8H2.
What are the key properties of 4-isoquinolin-1-ylcyclohexan-1-ol?
4-isoquinolin-1-ylcyclohexan-1-ol has a molecular weight of 227.31 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isoquinolin-1-ylcyclohexan-1-ol is sourced from PubChem (CID 116995245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).