(2S,3S)-1,4-diphenylbutane-2,3-diol

C16H18O2 — CID 12749465

IUPAC(2S,3S)-1,4-diphenylbutane-2,3-diol
SMILESO[C@@H](Cc1ccccc1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C16H18O2/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16-/m0/s1
InChIKeyJCMRRROPOPSQLE-HOTGVXAUSA-N
MW242.32 g/mol
LogP2.19
Rot. Bonds5

About (2S,3S)-1,4-diphenylbutane-2,3-diol

(2S,3S)-1,4-diphenylbutane-2,3-diol (PubChem CID 12749465) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S,3S)-1,4-diphenylbutane-2,3-diol.

Molecular Properties

Compound Name(2S,3S)-1,4-diphenylbutane-2,3-diol
PubChem CID12749465
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name(2S,3S)-1,4-diphenylbutane-2,3-diol
SMILESO[C@@H](Cc1ccccc1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C16H18O2/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16-/m0/s1
InChIKeyJCMRRROPOPSQLE-HOTGVXAUSA-N
XLogP2.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1,4-diphenylbutane-2,3-diol?
The IUPAC name of (2S,3S)-1,4-diphenylbutane-2,3-diol (CID 12749465) is (2S,3S)-1,4-diphenylbutane-2,3-diol.
What is the SMILES notation for (2S,3S)-1,4-diphenylbutane-2,3-diol?
The canonical SMILES for (2S,3S)-1,4-diphenylbutane-2,3-diol is O[C@@H](Cc1ccccc1)[C@@H](O)Cc1ccccc1.
What is the InChIKey of (2S,3S)-1,4-diphenylbutane-2,3-diol?
The InChIKey is JCMRRROPOPSQLE-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H18O2/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16-/m0/s1.
What are the key properties of (2S,3S)-1,4-diphenylbutane-2,3-diol?
(2S,3S)-1,4-diphenylbutane-2,3-diol has a molecular weight of 242.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1,4-diphenylbutane-2,3-diol is sourced from PubChem (CID 12749465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).