(2R,3S)-1,3,4-tris(phenylmethoxy)butan-2-ol

C25H28O4 — CID 11014689

IUPAC(2R,3S)-1,3,4-tris(phenylmethoxy)butan-2-ol
SMILESO[C@H](COCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C25H28O4/c26-24(19-27-16-21-10-4-1-5-11-21)25(29-18-23-14-8-3-9-15-23)20-28-17-22-12-6-2-7-13-22/h1-15,24-26H,16-20H2/t24-,25+/m1/s1
InChIKeyWVWVUGTXNHSGNC-RPBOFIJWSA-N
MW392.50 g/mol
LogP4.37
Rot. Bonds12

About (2R,3S)-1,3,4-tris(phenylmethoxy)butan-2-ol

(2R,3S)-1,3,4-tris(phenylmethoxy)butan-2-ol (PubChem CID 11014689) has the molecular formula C25H28O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is (2R,3S)-1,3,4-tris(phenylmethoxy)butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-1,3,4-tris(phenylmethoxy)butan-2-ol
PubChem CID11014689
Molecular FormulaC25H28O4
Molecular Weight392.50 g/mol
Exact Mass392.20
IUPAC Name(2R,3S)-1,3,4-tris(phenylmethoxy)butan-2-ol
SMILESO[C@H](COCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C25H28O4/c26-24(19-27-16-21-10-4-1-5-11-21)25(29-18-23-14-8-3-9-15-23)20-28-17-22-12-6-2-7-13-22/h1-15,24-26H,16-20H2/t24-,25+/m1/s1
InChIKeyWVWVUGTXNHSGNC-RPBOFIJWSA-N
XLogP4.37
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1,3,4-tris(phenylmethoxy)butan-2-ol?
The IUPAC name of (2R,3S)-1,3,4-tris(phenylmethoxy)butan-2-ol (CID 11014689) is (2R,3S)-1,3,4-tris(phenylmethoxy)butan-2-ol.
What is the SMILES notation for (2R,3S)-1,3,4-tris(phenylmethoxy)butan-2-ol?
The canonical SMILES for (2R,3S)-1,3,4-tris(phenylmethoxy)butan-2-ol is O[C@H](COCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2R,3S)-1,3,4-tris(phenylmethoxy)butan-2-ol?
The InChIKey is WVWVUGTXNHSGNC-RPBOFIJWSA-N. The full InChI is InChI=1S/C25H28O4/c26-24(19-27-16-21-10-4-1-5-11-21)25(29-18-23-14-8-3-9-15-23)20-28-17-22-12-6-2-7-13-22/h1-15,24-26H,16-20H2/t24-,25+/m1/s1.
What are the key properties of (2R,3S)-1,3,4-tris(phenylmethoxy)butan-2-ol?
(2R,3S)-1,3,4-tris(phenylmethoxy)butan-2-ol has a molecular weight of 392.50 g/mol, XLogP of 4.37, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1,3,4-tris(phenylmethoxy)butan-2-ol is sourced from PubChem (CID 11014689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).