(1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol

C18H22O6 — CID 134931219

IUPAC(1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol
SMILESO[C@H]([C@@H](O)[C@@H](O)[C@H](O)c1ccccc1)[C@@H](O)[C@H](O)c1ccccc1
InChIInChI=1S/C18H22O6/c19-13(11-7-3-1-4-8-11)15(21)17(23)18(24)16(22)14(20)12-9-5-2-6-10-12/h1-10,13-24H/t13-,14-,15+,16+,17+,18+/m1/s1
InChIKeyZGOQXEPZIRQVMP-ZMSHIADSSA-N
MW334.37 g/mol
LogP-0.10
Rot. Bonds7

About (1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol

(1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol (PubChem CID 134931219) has the molecular formula C18H22O6 and a molecular weight of 334.37 g/mol. Its IUPAC name is (1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol
PubChem CID134931219
Molecular FormulaC18H22O6
Molecular Weight334.37 g/mol
Exact Mass334.14
IUPAC Name(1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol
SMILESO[C@H]([C@@H](O)[C@@H](O)[C@H](O)c1ccccc1)[C@@H](O)[C@H](O)c1ccccc1
InChIInChI=1S/C18H22O6/c19-13(11-7-3-1-4-8-11)15(21)17(23)18(24)16(22)14(20)12-9-5-2-6-10-12/h1-10,13-24H/t13-,14-,15+,16+,17+,18+/m1/s1
InChIKeyZGOQXEPZIRQVMP-ZMSHIADSSA-N
XLogP-0.10
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol with MolForge

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Related Compounds

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1,2,3-triphenylpropane-1,3-diol
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(3S,4R,5R,6S)-1,3,4,5,6-pentahydroxy-6-phenylhexan-2-one
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(1S,2R)-2-amino-1,2-diphenylethanol
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CID 102153591

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol?
The IUPAC name of (1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol (CID 134931219) is (1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol?
The canonical SMILES for (1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol is O[C@H]([C@@H](O)[C@@H](O)[C@H](O)c1ccccc1)[C@@H](O)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol?
The InChIKey is ZGOQXEPZIRQVMP-ZMSHIADSSA-N. The full InChI is InChI=1S/C18H22O6/c19-13(11-7-3-1-4-8-11)15(21)17(23)18(24)16(22)14(20)12-9-5-2-6-10-12/h1-10,13-24H/t13-,14-,15+,16+,17+,18+/m1/s1.
What are the key properties of (1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol?
(1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol has a molecular weight of 334.37 g/mol, XLogP of -0.10, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 134931219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).