(2R,3S)-3,4-diphenylbutan-2-ol

C16H18O — CID 166439857

IUPAC(2R,3S)-3,4-diphenylbutan-2-ol
SMILESC[C@@H](O)[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18O/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11,13,16-17H,12H2,1H3/t13-,16-/m1/s1
InChIKeyPLTSKMDMOAQEKI-CZUORRHYSA-N
MW226.32 g/mol
LogP3.39
Rot. Bonds4

About (2R,3S)-3,4-diphenylbutan-2-ol

(2R,3S)-3,4-diphenylbutan-2-ol (PubChem CID 166439857) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is (2R,3S)-3,4-diphenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3,4-diphenylbutan-2-ol
PubChem CID166439857
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name(2R,3S)-3,4-diphenylbutan-2-ol
SMILESC[C@@H](O)[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18O/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11,13,16-17H,12H2,1H3/t13-,16-/m1/s1
InChIKeyPLTSKMDMOAQEKI-CZUORRHYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
(2S)-3-phenylpentan-2-ol
CID 45048673
2-methyl-3,4-diphenylbutanal
CID 155047824
(1R)-1,2-diphenylethanol
CID 1379022
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
3-fluoro-4-phenylbutan-2-ol
CID 105433789
3-methyl-1-phenylpentane-2,4-diol
CID 59748553
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226
sodium;hydride;1-phenylpropan-2-ol
CID 175039142
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
2-phenyl-1-(3-propan-2-ylphenyl)ethanol
CID 59798288

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3,4-diphenylbutan-2-ol?
The IUPAC name of (2R,3S)-3,4-diphenylbutan-2-ol (CID 166439857) is (2R,3S)-3,4-diphenylbutan-2-ol.
What is the SMILES notation for (2R,3S)-3,4-diphenylbutan-2-ol?
The canonical SMILES for (2R,3S)-3,4-diphenylbutan-2-ol is C[C@@H](O)[C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S)-3,4-diphenylbutan-2-ol?
The InChIKey is PLTSKMDMOAQEKI-CZUORRHYSA-N. The full InChI is InChI=1S/C16H18O/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11,13,16-17H,12H2,1H3/t13-,16-/m1/s1.
What are the key properties of (2R,3S)-3,4-diphenylbutan-2-ol?
(2R,3S)-3,4-diphenylbutan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3,4-diphenylbutan-2-ol is sourced from PubChem (CID 166439857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).