cis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol

C22H28O — CID 139705994

IUPACcis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@@H]1c1c(C2CCCCC2)ccc2ccccc12
InChIInChI=1S/C22H28O/c23-21-13-7-6-12-20(21)22-18-11-5-4-10-17(18)14-15-19(22)16-8-2-1-3-9-16/h4-5,10-11,14-16,20-21,23H,1-3,6-9,12-13H2/t20-,21+/m0/s1
InChIKeyMCSVITWKSQAWMY-LEWJYISDSA-N
MW308.46 g/mol
LogP5.91
Rot. Bonds2

About cis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol

cis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol (PubChem CID 139705994) has the molecular formula C22H28O and a molecular weight of 308.46 g/mol. Its IUPAC name is cis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol
PubChem CID139705994
Molecular FormulaC22H28O
Molecular Weight308.46 g/mol
Exact Mass308.21
IUPAC Namecis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@@H]1c1c(C2CCCCC2)ccc2ccccc12
InChIInChI=1S/C22H28O/c23-21-13-7-6-12-20(21)22-18-11-5-4-10-17(18)14-15-19(22)16-8-2-1-3-9-16/h4-5,10-11,14-16,20-21,23H,1-3,6-9,12-13H2/t20-,21+/m0/s1
InChIKeyMCSVITWKSQAWMY-LEWJYISDSA-N
XLogP5.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.46
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2R)-2-(2-methylnaphthalen-1-yl)cyclohexan-1-ol
CID 139706022
cis-(1S,2S)-2-(2-methylnaphthalen-1-yl)cyclohexan-1-ol
CID 139705882
cis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol
CID 139705954
cis-(1S,2S)-2-[2-(methylsulfanylmethoxy)naphthalen-1-yl]cyclohexan-1-ol
CID 139705915
2-cyclopentylnaphthalene-1-thiol
CID 67281948
[1-(2-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 155147383
cis-(1S,2S)-2-[2-[(2S)-oxan-2-yl]oxynaphthalen-1-yl]cyclohexan-1-ol
CID 139705959
azane;2-cyclohexyl-1-nitrosonaphthalene
CID 88719595
1-cyclohexyl-2-(1-methylcycloprop-2-en-1-yl)naphthalene
CID 163489570
1-cyclohexylnaphthalene-2-sulfonate
CID 18989047
1-cyclopentylpyrene
CID 101173318
9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59413180

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol (CID 139705994) is cis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol is O[C@@H]1CCCC[C@@H]1c1c(C2CCCCC2)ccc2ccccc12.
What is the InChIKey of cis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol?
The InChIKey is MCSVITWKSQAWMY-LEWJYISDSA-N. The full InChI is InChI=1S/C22H28O/c23-21-13-7-6-12-20(21)22-18-11-5-4-10-17(18)14-15-19(22)16-8-2-1-3-9-16/h4-5,10-11,14-16,20-21,23H,1-3,6-9,12-13H2/t20-,21+/m0/s1.
What are the key properties of cis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol?
cis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol has a molecular weight of 308.46 g/mol, XLogP of 5.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 139705994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).