(2R,4S)-6-phenylhexane-2,4-diol

C12H18O2 — CID 101030295

IUPAC(2R,4S)-6-phenylhexane-2,4-diol
SMILESC[C@@H](O)C[C@@H](O)CCc1ccccc1
InChIInChI=1S/C12H18O2/c1-10(13)9-12(14)8-7-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12+/m1/s1
InChIKeyIOADLABMYGKKRE-PWSUYJOCSA-N
MW194.27 g/mol
LogP1.75
Rot. Bonds5

About (2R,4S)-6-phenylhexane-2,4-diol

(2R,4S)-6-phenylhexane-2,4-diol (PubChem CID 101030295) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (2R,4S)-6-phenylhexane-2,4-diol.

Molecular Properties

Compound Name(2R,4S)-6-phenylhexane-2,4-diol
PubChem CID101030295
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(2R,4S)-6-phenylhexane-2,4-diol
SMILESC[C@@H](O)C[C@@H](O)CCc1ccccc1
InChIInChI=1S/C12H18O2/c1-10(13)9-12(14)8-7-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12+/m1/s1
InChIKeyIOADLABMYGKKRE-PWSUYJOCSA-N
XLogP1.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
4-methyl-7-phenylheptan-2-ol
CID 64718783
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
2-methyl-4-phenylbutane-1,1-diol
CID 20647936
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693
iridium;bis(1-methyl-2-phenylpyridin-1-ium);6-phenylhexane-2,4-diol
CID 59748585
1-phenylheptan-3-ol
CID 10420110
(2S)-4-phenylbutan-2-amine
CID 6994564
(3R)-1-phenyl-5-trimethylsilylpentan-3-ol
CID 11601130
5-hydroxy-7-phenylheptane-3-sulfinic acid
CID 174656359
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);iridium;6-phenylhexane-2,4-diol
CID 59748618
5-hydroxy-7-phenylheptane-3-sulfinate
CID 174656358

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-6-phenylhexane-2,4-diol?
The IUPAC name of (2R,4S)-6-phenylhexane-2,4-diol (CID 101030295) is (2R,4S)-6-phenylhexane-2,4-diol.
What is the SMILES notation for (2R,4S)-6-phenylhexane-2,4-diol?
The canonical SMILES for (2R,4S)-6-phenylhexane-2,4-diol is C[C@@H](O)C[C@@H](O)CCc1ccccc1.
What is the InChIKey of (2R,4S)-6-phenylhexane-2,4-diol?
The InChIKey is IOADLABMYGKKRE-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H18O2/c1-10(13)9-12(14)8-7-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12+/m1/s1.
What are the key properties of (2R,4S)-6-phenylhexane-2,4-diol?
(2R,4S)-6-phenylhexane-2,4-diol has a molecular weight of 194.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-6-phenylhexane-2,4-diol is sourced from PubChem (CID 101030295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).