(2R)-3-[4-[4-[(E,3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]propane-1,2-diol

C24H28N2O5 — CID 167184623

IUPAC(2R)-3-[4-[4-[(E,3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]propane-1,2-diol
SMILESC[C@H](O)c1nccn1[C@@H](/C=C/c1ccc(-c2ccc(OC[C@H](O)CO)cc2)cc1)CO
InChIInChI=1S/C24H28N2O5/c1-17(29)24-25-12-13-26(24)21(14-27)9-4-18-2-5-19(6-3-18)20-7-10-23(11-8-20)31-16-22(30)15-28/h2-13,17,21-22,27-30H,14-16H2,1H3/b9-4+/t17-,21-,22+/m0/s1
InChIKeyGLHLBXBAIXGXDG-UQKFDIPHSA-N
MW424.50 g/mol
LogP2.58
Rot. Bonds10

About (2R)-3-[4-[4-[(E,3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]propane-1,2-diol

(2R)-3-[4-[4-[(E,3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]propane-1,2-diol (PubChem CID 167184623) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is (2R)-3-[4-[4-[(E,3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[4-[4-[(E,3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]propane-1,2-diol
PubChem CID167184623
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name(2R)-3-[4-[4-[(E,3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]propane-1,2-diol
SMILESC[C@H](O)c1nccn1[C@@H](/C=C/c1ccc(-c2ccc(OC[C@H](O)CO)cc2)cc1)CO
InChIInChI=1S/C24H28N2O5/c1-17(29)24-25-12-13-26(24)21(14-27)9-4-18-2-5-19(6-3-18)20-7-10-23(11-8-20)31-16-22(30)15-28/h2-13,17,21-22,27-30H,14-16H2,1H3/b9-4+/t17-,21-,22+/m0/s1
InChIKeyGLHLBXBAIXGXDG-UQKFDIPHSA-N
XLogP2.58
TPSA107.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R)-3-[4-[4-[(E,3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]propane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-[4-[(E,3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]propane-1,2-diol?
The IUPAC name of (2R)-3-[4-[4-[(E,3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]propane-1,2-diol (CID 167184623) is (2R)-3-[4-[4-[(E,3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[4-[4-[(E,3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]propane-1,2-diol?
The canonical SMILES for (2R)-3-[4-[4-[(E,3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]propane-1,2-diol is C[C@H](O)c1nccn1[C@@H](/C=C/c1ccc(-c2ccc(OC[C@H](O)CO)cc2)cc1)CO.
What is the InChIKey of (2R)-3-[4-[4-[(E,3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]propane-1,2-diol?
The InChIKey is GLHLBXBAIXGXDG-UQKFDIPHSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-17(29)24-25-12-13-26(24)21(14-27)9-4-18-2-5-19(6-3-18)20-7-10-23(11-8-20)31-16-22(30)15-28/h2-13,17,21-22,27-30H,14-16H2,1H3/b9-4+/t17-,21-,22+/m0/s1.
What are the key properties of (2R)-3-[4-[4-[(E,3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]propane-1,2-diol?
(2R)-3-[4-[4-[(E,3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]propane-1,2-diol has a molecular weight of 424.50 g/mol, XLogP of 2.58, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[4-[4-[(E,3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]propane-1,2-diol is sourced from PubChem (CID 167184623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).