trans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol

C16H18O2 — CID 102094905

IUPACtrans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol
SMILESO[C@@H]1CCCC[C@@]1(O)c1cccc2ccccc12
InChIInChI=1S/C16H18O2/c17-15-10-3-4-11-16(15,18)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15,17-18H,3-4,10-11H2/t15-,16-/m1/s1
InChIKeySYTOPOADCYYUKC-HZPDHXFCSA-N
MW242.32 g/mol
LogP2.96
Rot. Bonds1

About trans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol

trans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol (PubChem CID 102094905) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is trans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol.

Molecular Properties

Compound Nametrans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol
PubChem CID102094905
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Nametrans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol
SMILESO[C@@H]1CCCC[C@@]1(O)c1cccc2ccccc12
InChIInChI=1S/C16H18O2/c17-15-10-3-4-11-16(15,18)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15,17-18H,3-4,10-11H2/t15-,16-/m1/s1
InChIKeySYTOPOADCYYUKC-HZPDHXFCSA-N
XLogP2.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-naphthalen-1-ylthian-3-ol
CID 79951974
1-naphthalen-1-yl-7-oxabicyclo[4.1.0]heptane
CID 15441962
2,2-dimethyl-1-naphthalen-1-ylcyclopentan-1-ol
CID 79863482
1-(1-propan-2-ylcyclohexyl)naphthalene
CID 57087987
2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine
CID 63407963
(1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol
CID 7055569
3,4-dimethyl-1-naphthalen-1-ylcyclohexan-1-ol
CID 64746265
trans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol
CID 101024510
1-isoquinolin-4-yl-2-methoxycyclohexan-1-ol
CID 106873556
1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol
CID 81142236
1-naphthalen-1-ylcyclopentane-1-carbaldehyde
CID 86726004
1-isoquinolin-8-yl-2-methylcyclopentan-1-ol
CID 103142880

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol?
The IUPAC name of trans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol (CID 102094905) is trans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol.
What is the SMILES notation for trans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol?
The canonical SMILES for trans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol is O[C@@H]1CCCC[C@@]1(O)c1cccc2ccccc12.
What is the InChIKey of trans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol?
The InChIKey is SYTOPOADCYYUKC-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H18O2/c17-15-10-3-4-11-16(15,18)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15,17-18H,3-4,10-11H2/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol?
trans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol has a molecular weight of 242.32 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol is sourced from PubChem (CID 102094905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).