trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol

C18H20O2 — CID 15915235

IUPACtrans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
SMILESO[C@@]1(c2ccccc2)CCCC[C@@]1(O)c1ccccc1
InChIInChI=1S/C18H20O2/c19-17(15-9-3-1-4-10-15)13-7-8-14-18(17,20)16-11-5-2-6-12-16/h1-6,9-12,19-20H,7-8,13-14H2/t17-,18-/m1/s1
InChIKeyARWGFDQJEZLQLC-QZTJIDSGSA-N
MW268.36 g/mol
LogP3.34
Rot. Bonds2

About trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol

trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol (PubChem CID 15915235) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol.

Molecular Properties

Compound Nametrans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
PubChem CID15915235
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Nametrans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
SMILESO[C@@]1(c2ccccc2)CCCC[C@@]1(O)c1ccccc1
InChIInChI=1S/C18H20O2/c19-17(15-9-3-1-4-10-15)13-7-8-14-18(17,20)16-11-5-2-6-12-16/h1-6,9-12,19-20H,7-8,13-14H2/t17-,18-/m1/s1
InChIKeyARWGFDQJEZLQLC-QZTJIDSGSA-N
XLogP3.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol
CID 101349551
2-(dimethylamino)-2-methyl-1-phenylcyclohexan-1-ol
CID 66606780
copper;1-phenylcyclohexan-1-ol
CID 174727157
2,2,3,3-tetrakis(hydroxymethyl)-1-phenylcyclohexan-1-ol
CID 67828369
2,2-dimethyl-1-(4-phenylphenyl)cyclohexan-1-ol
CID 79841974
(1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol
CID 91116879
ethane;1-phenylcyclohexan-1-ol
CID 144640846
azane;1-phenylcyclobutan-1-ol
CID 175547532
1,1-diphenylcyclotetradecane
CID 175822005
2-phenylpiperidin-2-ol
CID 173102945
cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol
CID 10967455
ethane;methanol;(1-phenylcyclohexyl)benzene
CID 91580542

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol?
The IUPAC name of trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol (CID 15915235) is trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol.
What is the SMILES notation for trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol?
The canonical SMILES for trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol is O[C@@]1(c2ccccc2)CCCC[C@@]1(O)c1ccccc1.
What is the InChIKey of trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol?
The InChIKey is ARWGFDQJEZLQLC-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H20O2/c19-17(15-9-3-1-4-10-15)13-7-8-14-18(17,20)16-11-5-2-6-12-16/h1-6,9-12,19-20H,7-8,13-14H2/t17-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol?
trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol has a molecular weight of 268.36 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol is sourced from PubChem (CID 15915235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).