trans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol

C15H21NO — CID 15925775

IUPACtrans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1N1CCc2ccccc2C1
InChIInChI=1S/C15H21NO/c17-15-8-4-3-7-14(15)16-10-9-12-5-1-2-6-13(12)11-16/h1-2,5-6,14-15,17H,3-4,7-11H2/t14-,15-/m1/s1
InChIKeyTYFVIIFOPODLOW-HUUCEWRRSA-N
MW231.34 g/mol
LogP2.35
Rot. Bonds1

About trans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol

trans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol (PubChem CID 15925775) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol
PubChem CID15925775
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Nametrans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1N1CCc2ccccc2C1
InChIInChI=1S/C15H21NO/c17-15-8-4-3-7-14(15)16-10-9-12-5-1-2-6-13(12)11-16/h1-2,5-6,14-15,17H,3-4,7-11H2/t14-,15-/m1/s1
InChIKeyTYFVIIFOPODLOW-HUUCEWRRSA-N
XLogP2.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol (CID 15925775) is trans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1N1CCc2ccccc2C1.
What is the InChIKey of trans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol?
The InChIKey is TYFVIIFOPODLOW-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H21NO/c17-15-8-4-3-7-14(15)16-10-9-12-5-1-2-6-13(12)11-16/h1-2,5-6,14-15,17H,3-4,7-11H2/t14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol?
trans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 15925775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).