(2R,3R,4R,5S)-3-(2-phenylpropan-2-yl)hexane-1,2,3,4,5,6-hexol

C15H24O6 — CID 174641507

IUPAC(2R,3R,4R,5S)-3-(2-phenylpropan-2-yl)hexane-1,2,3,4,5,6-hexol
SMILESCC(C)(c1ccccc1)[C@@](O)([C@H](O)CO)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C15H24O6/c1-14(2,10-6-4-3-5-7-10)15(21,12(19)9-17)13(20)11(18)8-16/h3-7,11-13,16-21H,8-9H2,1-2H3/t11-,12+,13+,15+/m0/s1
InChIKeyRVWNRESLAKWUOU-KYEXWDHISA-N
MW300.35 g/mol
LogP-1.24
Rot. Bonds7

About (2R,3R,4R,5S)-3-(2-phenylpropan-2-yl)hexane-1,2,3,4,5,6-hexol

(2R,3R,4R,5S)-3-(2-phenylpropan-2-yl)hexane-1,2,3,4,5,6-hexol (PubChem CID 174641507) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is (2R,3R,4R,5S)-3-(2-phenylpropan-2-yl)hexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-3-(2-phenylpropan-2-yl)hexane-1,2,3,4,5,6-hexol
PubChem CID174641507
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name(2R,3R,4R,5S)-3-(2-phenylpropan-2-yl)hexane-1,2,3,4,5,6-hexol
SMILESCC(C)(c1ccccc1)[C@@](O)([C@H](O)CO)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C15H24O6/c1-14(2,10-6-4-3-5-7-10)15(21,12(19)9-17)13(20)11(18)8-16/h3-7,11-13,16-21H,8-9H2,1-2H3/t11-,12+,13+,15+/m0/s1
InChIKeyRVWNRESLAKWUOU-KYEXWDHISA-N
XLogP-1.24
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.35
LogP ≤ 5-1.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol
CID 54330413
3,3-bis(hydroxymethyl)-5,5-dimethyl-2-phenylhexane-2,4-diol
CID 157380093
3,3-dimethyl-4-phenylbutane-1,2,4-triol
CID 132576079
hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene
CID 23026515
6-methoxy-5-methyl-7,7-diphenylhept-6-ene-1,2,3,4,5-pentol
CID 174554505
6,7,8-trihydroxy-2,2-dimethyl-6-phenyloct-4-en-3-one
CID 151842105
(2S,3R,4R,5R)-4,6-bis[(2-ethylphenyl)methyl]octane-1,2,3,4,5,6-hexol
CID 141459837
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
2-tritylpentane-1,3-diol
CID 139760773
1-phenylpropan-1-ol;2-phenylpropan-2-ol
CID 174769511
(1S,3R)-1,3-diphenylbutane-1,3-diol
CID 13113333
2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol
CID 161347790

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-3-(2-phenylpropan-2-yl)hexane-1,2,3,4,5,6-hexol?
The IUPAC name of (2R,3R,4R,5S)-3-(2-phenylpropan-2-yl)hexane-1,2,3,4,5,6-hexol (CID 174641507) is (2R,3R,4R,5S)-3-(2-phenylpropan-2-yl)hexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2R,3R,4R,5S)-3-(2-phenylpropan-2-yl)hexane-1,2,3,4,5,6-hexol?
The canonical SMILES for (2R,3R,4R,5S)-3-(2-phenylpropan-2-yl)hexane-1,2,3,4,5,6-hexol is CC(C)(c1ccccc1)[C@@](O)([C@H](O)CO)[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2R,3R,4R,5S)-3-(2-phenylpropan-2-yl)hexane-1,2,3,4,5,6-hexol?
The InChIKey is RVWNRESLAKWUOU-KYEXWDHISA-N. The full InChI is InChI=1S/C15H24O6/c1-14(2,10-6-4-3-5-7-10)15(21,12(19)9-17)13(20)11(18)8-16/h3-7,11-13,16-21H,8-9H2,1-2H3/t11-,12+,13+,15+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-3-(2-phenylpropan-2-yl)hexane-1,2,3,4,5,6-hexol?
(2R,3R,4R,5S)-3-(2-phenylpropan-2-yl)hexane-1,2,3,4,5,6-hexol has a molecular weight of 300.35 g/mol, XLogP of -1.24, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-3-(2-phenylpropan-2-yl)hexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 174641507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).