(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol

C18H20O2 — CID 98598015

IUPAC(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
SMILESO[C@H]1[C@H](O)[C@H](c2ccccc2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C18H20O2/c19-17-15(13-7-3-1-4-8-13)11-12-16(18(17)20)14-9-5-2-6-10-14/h1-10,15-20H,11-12H2/t15-,16+,17-,18-/m1/s1
InChIKeyKIDYUEHQXIEBGK-XMTFNYHQSA-N
MW268.36 g/mol
LogP3.07
Rot. Bonds2

About (1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol

(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol (PubChem CID 98598015) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol.

Molecular Properties

Compound Name(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
PubChem CID98598015
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
SMILESO[C@H]1[C@H](O)[C@H](c2ccccc2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C18H20O2/c19-17-15(13-7-3-1-4-8-13)11-12-16(18(17)20)14-9-5-2-6-10-14/h1-10,15-20H,11-12H2/t15-,16+,17-,18-/m1/s1
InChIKeyKIDYUEHQXIEBGK-XMTFNYHQSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
[(1R,2R,3R,6R)-2-hydroxy-3,6-diphenylcyclohexyl] acetate
CID 38361315
(1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol
CID 102585788
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
[(1S,2S)-2-phenylcyclobutyl]methanol
CID 99991987
trimethyl-(2-phenylcyclopropyl)azanium
CID 3797998
(3S,4R)-4-phenylpyrrolidin-3-ol
CID 25067300
3,5-diphenylthiolan-2-ol
CID 144931057
2-phenylcyclobutane-1-carboxamide
CID 132565333
2,3-diphenylcyclopropan-1-ol
CID 15400659
(3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride
CID 162341594
[(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene
CID 100933620

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol?
The IUPAC name of (1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol (CID 98598015) is (1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol.
What is the SMILES notation for (1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol?
The canonical SMILES for (1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol is O[C@H]1[C@H](O)[C@H](c2ccccc2)CC[C@@H]1c1ccccc1.
What is the InChIKey of (1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol?
The InChIKey is KIDYUEHQXIEBGK-XMTFNYHQSA-N. The full InChI is InChI=1S/C18H20O2/c19-17-15(13-7-3-1-4-8-13)11-12-16(18(17)20)14-9-5-2-6-10-14/h1-10,15-20H,11-12H2/t15-,16+,17-,18-/m1/s1.
What are the key properties of (1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol?
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol has a molecular weight of 268.36 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol is sourced from PubChem (CID 98598015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).