(2S,5S)-2,5-diphenylhexane-1,6-diol

C18H22O2 — CID 102169365

IUPAC(2S,5S)-2,5-diphenylhexane-1,6-diol
SMILESOC[C@@H](CC[C@H](CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2/c19-13-17(15-7-3-1-4-8-15)11-12-18(14-20)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-/m1/s1
InChIKeyHGCNGIWTSCDPLW-QZTJIDSGSA-N
MW270.37 g/mol
LogP3.32
Rot. Bonds7

About (2S,5S)-2,5-diphenylhexane-1,6-diol

(2S,5S)-2,5-diphenylhexane-1,6-diol (PubChem CID 102169365) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S,5S)-2,5-diphenylhexane-1,6-diol.

Molecular Properties

Compound Name(2S,5S)-2,5-diphenylhexane-1,6-diol
PubChem CID102169365
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(2S,5S)-2,5-diphenylhexane-1,6-diol
SMILESOC[C@@H](CC[C@H](CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2/c19-13-17(15-7-3-1-4-8-15)11-12-18(14-20)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-/m1/s1
InChIKeyHGCNGIWTSCDPLW-QZTJIDSGSA-N
XLogP3.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol
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2-phenyl-4-phosphorosooxybutan-1-ol
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5-methylsulfonyl-2-phenylpentan-1-ol
CID 66058366
3-[2-(hydroxymethyl)phenyl]-2-phenylpropan-1-ol
CID 101198305
N'-(3-hydroxy-2-phenylpropyl)methanimidamide
CID 143527635
3-(2-methylpropylamino)-2-phenylpropan-1-ol
CID 115876691
O-(3-hydroxy-2-phenylpropyl) carbamothioate
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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-diphenylhexane-1,6-diol?
The IUPAC name of (2S,5S)-2,5-diphenylhexane-1,6-diol (CID 102169365) is (2S,5S)-2,5-diphenylhexane-1,6-diol.
What is the SMILES notation for (2S,5S)-2,5-diphenylhexane-1,6-diol?
The canonical SMILES for (2S,5S)-2,5-diphenylhexane-1,6-diol is OC[C@@H](CC[C@H](CO)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,5S)-2,5-diphenylhexane-1,6-diol?
The InChIKey is HGCNGIWTSCDPLW-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H22O2/c19-13-17(15-7-3-1-4-8-15)11-12-18(14-20)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-/m1/s1.
What are the key properties of (2S,5S)-2,5-diphenylhexane-1,6-diol?
(2S,5S)-2,5-diphenylhexane-1,6-diol has a molecular weight of 270.37 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-diphenylhexane-1,6-diol is sourced from PubChem (CID 102169365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).