trans-(1S,2R)-2-naphthalen-1-ylcyclohexan-1-ol

C16H18O — CID 11790908

IUPACtrans-(1S,2R)-2-naphthalen-1-ylcyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C16H18O/c17-16-11-4-3-9-15(16)14-10-5-7-12-6-1-2-8-13(12)14/h1-2,5-8,10,15-17H,3-4,9,11H2/t15-,16+/m1/s1
InChIKeyGLPLBZSYNMNCEQ-CVEARBPZSA-N
MW226.32 g/mol
LogP3.86
Rot. Bonds1

About trans-(1S,2R)-2-naphthalen-1-ylcyclohexan-1-ol

trans-(1S,2R)-2-naphthalen-1-ylcyclohexan-1-ol (PubChem CID 11790908) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is trans-(1S,2R)-2-naphthalen-1-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-naphthalen-1-ylcyclohexan-1-ol
PubChem CID11790908
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Nametrans-(1S,2R)-2-naphthalen-1-ylcyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C16H18O/c17-16-11-4-3-9-15(16)14-10-5-7-12-6-1-2-8-13(12)14/h1-2,5-8,10,15-17H,3-4,9,11H2/t15-,16+/m1/s1
InChIKeyGLPLBZSYNMNCEQ-CVEARBPZSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-naphthalen-1-ylcyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-naphthalen-1-ylcyclohexan-1-ol (CID 11790908) is trans-(1S,2R)-2-naphthalen-1-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-naphthalen-1-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-naphthalen-1-ylcyclohexan-1-ol is O[C@H]1CCCC[C@@H]1c1cccc2ccccc12.
What is the InChIKey of trans-(1S,2R)-2-naphthalen-1-ylcyclohexan-1-ol?
The InChIKey is GLPLBZSYNMNCEQ-CVEARBPZSA-N. The full InChI is InChI=1S/C16H18O/c17-16-11-4-3-9-15(16)14-10-5-7-12-6-1-2-8-13(12)14/h1-2,5-8,10,15-17H,3-4,9,11H2/t15-,16+/m1/s1.
What are the key properties of trans-(1S,2R)-2-naphthalen-1-ylcyclohexan-1-ol?
trans-(1S,2R)-2-naphthalen-1-ylcyclohexan-1-ol has a molecular weight of 226.32 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-naphthalen-1-ylcyclohexan-1-ol is sourced from PubChem (CID 11790908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).