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

C16H18O — CID 10823136

IUPACtrans-(1R,2S)-2-naphthalen-2-ylcyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C16H18O/c17-16-8-4-3-7-15(16)14-10-9-12-5-1-2-6-13(12)11-14/h1-2,5-6,9-11,15-17H,3-4,7-8H2/t15-,16+/m0/s1
InChIKeySJHHKRLBAHTTOU-JKSUJKDBSA-N
MW226.32 g/mol
LogP3.86
Rot. Bonds1

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

trans-(1R,2S)-2-naphthalen-2-ylcyclohexan-1-ol (PubChem CID 10823136) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is trans-(1R,2S)-2-naphthalen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-naphthalen-2-ylcyclohexan-1-ol
PubChem CID10823136
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Nametrans-(1R,2S)-2-naphthalen-2-ylcyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C16H18O/c17-16-8-4-3-7-15(16)14-10-9-12-5-1-2-6-13(12)11-14/h1-2,5-6,9-11,15-17H,3-4,7-8H2/t15-,16+/m0/s1
InChIKeySJHHKRLBAHTTOU-JKSUJKDBSA-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-(1R,2S)-2-naphthalen-2-ylcyclohexan-1-ol?
The IUPAC name of trans-(1R,2S)-2-naphthalen-2-ylcyclohexan-1-ol (CID 10823136) is trans-(1R,2S)-2-naphthalen-2-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-naphthalen-2-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-naphthalen-2-ylcyclohexan-1-ol is O[C@@H]1CCCC[C@H]1c1ccc2ccccc2c1.
What is the InChIKey of trans-(1R,2S)-2-naphthalen-2-ylcyclohexan-1-ol?
The InChIKey is SJHHKRLBAHTTOU-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H18O/c17-16-8-4-3-7-15(16)14-10-9-12-5-1-2-6-13(12)11-14/h1-2,5-6,9-11,15-17H,3-4,7-8H2/t15-,16+/m0/s1.
What are the key properties of trans-(1R,2S)-2-naphthalen-2-ylcyclohexan-1-ol?
trans-(1R,2S)-2-naphthalen-2-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-(1R,2S)-2-naphthalen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 10823136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).