3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol

C16H17NO — CID 115797918

IUPAC3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol
SMILESOC(c1cncc2ccccc12)C1CC2CC2C1
InChIInChI=1S/C16H17NO/c18-16(13-6-11-5-12(11)7-13)15-9-17-8-10-3-1-2-4-14(10)15/h1-4,8-9,11-13,16,18H,5-7H2
InChIKeyAEMMQCBYHLMJRE-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.31
Rot. Bonds2

About 3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol

3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol (PubChem CID 115797918) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol
PubChem CID115797918
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol
SMILESOC(c1cncc2ccccc12)C1CC2CC2C1
InChIInChI=1S/C16H17NO/c18-16(13-6-11-5-12(11)7-13)15-9-17-8-10-3-1-2-4-14(10)15/h1-4,8-9,11-13,16,18H,5-7H2
InChIKeyAEMMQCBYHLMJRE-UHFFFAOYSA-N
XLogP3.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol
CID 104504589
7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol
CID 115798046
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
2-cycloheptyl-1-isoquinolin-4-ylethanol
CID 115798049
cyclopropyl(isoquinolin-4-yl)methanamine
CID 63939976
2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol
CID 104504591
(1,4-dimethylpiperazin-2-yl)-isoquinolin-4-ylmethanol
CID 79659479
isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622205
isoquinolin-4-yl(pyrimidin-5-yl)methanol
CID 104504669
(4-cyclopropylphenyl)-isoquinolin-4-ylmethanol
CID 79970972
1-isoquinolin-4-yl-3-sulfanylpropane-1,2-diol
CID 170820099
1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 115852970

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol (CID 115797918) is 3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol is OC(c1cncc2ccccc12)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol?
The InChIKey is AEMMQCBYHLMJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c18-16(13-6-11-5-12(11)7-13)15-9-17-8-10-3-1-2-4-14(10)15/h1-4,8-9,11-13,16,18H,5-7H2.
What are the key properties of 3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol?
3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol has a molecular weight of 239.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol is sourced from PubChem (CID 115797918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).