(2S,4R)-2,4-diphenylpentane-2,4-diol

C17H20O2 — CID 139037078

IUPAC(2S,4R)-2,4-diphenylpentane-2,4-diol
SMILESC[C@](O)(C[C@@](C)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O2/c1-16(18,14-9-5-3-6-10-14)13-17(2,19)15-11-7-4-8-12-15/h3-12,18-19H,13H2,1-2H3/t16-,17+
InChIKeyYAOJGXOSRNJYTN-CALCHBBNSA-N
MW256.35 g/mol
LogP3.19
Rot. Bonds4

About (2S,4R)-2,4-diphenylpentane-2,4-diol

(2S,4R)-2,4-diphenylpentane-2,4-diol (PubChem CID 139037078) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2S,4R)-2,4-diphenylpentane-2,4-diol.

Molecular Properties

Compound Name(2S,4R)-2,4-diphenylpentane-2,4-diol
PubChem CID139037078
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name(2S,4R)-2,4-diphenylpentane-2,4-diol
SMILESC[C@](O)(C[C@@](C)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O2/c1-16(18,14-9-5-3-6-10-14)13-17(2,19)15-11-7-4-8-12-15/h3-12,18-19H,13H2,1-2H3/t16-,17+
InChIKeyYAOJGXOSRNJYTN-CALCHBBNSA-N
XLogP3.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-amino-2-phenylpropan-2-ol;hydrochloride
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[(2R)-2-hydroxy-2-phenylpropyl]-propan-2-ylazanium
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1-(oxiran-2-yl)-2-phenylpropan-2-ol
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1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol
CID 13140414
(3S)-3-hydroxy-3-phenylbutanenitrile
CID 792926
1-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxylic acid
CID 79426271
magnesium;hydride;2-phenylpropan-2-ol
CID 175301380
(2S)-2-phenyl-1-phenylsulfanylpropan-2-ol
CID 138965294
(1S,3R)-1,3-diphenylbutane-1,3-diol
CID 13113333
1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride
CID 173355754
1-methylsulfinyl-2-phenylpropan-2-ol
CID 15013398

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2,4-diphenylpentane-2,4-diol?
The IUPAC name of (2S,4R)-2,4-diphenylpentane-2,4-diol (CID 139037078) is (2S,4R)-2,4-diphenylpentane-2,4-diol.
What is the SMILES notation for (2S,4R)-2,4-diphenylpentane-2,4-diol?
The canonical SMILES for (2S,4R)-2,4-diphenylpentane-2,4-diol is C[C@](O)(C[C@@](C)(O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,4R)-2,4-diphenylpentane-2,4-diol?
The InChIKey is YAOJGXOSRNJYTN-CALCHBBNSA-N. The full InChI is InChI=1S/C17H20O2/c1-16(18,14-9-5-3-6-10-14)13-17(2,19)15-11-7-4-8-12-15/h3-12,18-19H,13H2,1-2H3/t16-,17+.
What are the key properties of (2S,4R)-2,4-diphenylpentane-2,4-diol?
(2S,4R)-2,4-diphenylpentane-2,4-diol has a molecular weight of 256.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2,4-diphenylpentane-2,4-diol is sourced from PubChem (CID 139037078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).