(1-hydroxy-1-phenylpropan-2-yl)-methyl-[(E)-3-phenylprop-2-enyl]azanium chloride

C19H24ClNO — CID 6434842

IUPAC(1-hydroxy-1-phenylpropan-2-yl)-methyl-[(E)-3-phenylprop-2-enyl]azanium chloride
SMILESCC(C(O)c1ccccc1)[NH+](C)C/C=C/c1ccccc1.[Cl-]
InChIInChI=1S/C19H23NO.ClH/c1-16(19(21)18-13-7-4-8-14-18)20(2)15-9-12-17-10-5-3-6-11-17;/h3-14,16,19,21H,15H2,1-2H3;1H/b12-9+;
InChIKeyRSBLYYMNHJDITE-NBYYMMLRSA-N
MW317.86 g/mol
LogP-0.66
Rot. Bonds6

About (1-hydroxy-1-phenylpropan-2-yl)-methyl-[(E)-3-phenylprop-2-enyl]azanium chloride

(1-hydroxy-1-phenylpropan-2-yl)-methyl-[(E)-3-phenylprop-2-enyl]azanium chloride (PubChem CID 6434842) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is (1-hydroxy-1-phenylpropan-2-yl)-methyl-[(E)-3-phenylprop-2-enyl]azanium chloride.

Molecular Properties

Compound Name(1-hydroxy-1-phenylpropan-2-yl)-methyl-[(E)-3-phenylprop-2-enyl]azanium chloride
PubChem CID6434842
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name(1-hydroxy-1-phenylpropan-2-yl)-methyl-[(E)-3-phenylprop-2-enyl]azanium chloride
SMILESCC(C(O)c1ccccc1)[NH+](C)C/C=C/c1ccccc1.[Cl-]
InChIInChI=1S/C19H23NO.ClH/c1-16(19(21)18-13-7-4-8-14-18)20(2)15-9-12-17-10-5-3-6-11-17;/h3-14,16,19,21H,15H2,1-2H3;1H/b12-9+;
InChIKeyRSBLYYMNHJDITE-NBYYMMLRSA-N
XLogP-0.66
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-1-phenylpropan-2-yl)-methyl-[(E)-3-phenylprop-2-enyl]azanium chloride?
The IUPAC name of (1-hydroxy-1-phenylpropan-2-yl)-methyl-[(E)-3-phenylprop-2-enyl]azanium chloride (CID 6434842) is (1-hydroxy-1-phenylpropan-2-yl)-methyl-[(E)-3-phenylprop-2-enyl]azanium chloride.
What is the SMILES notation for (1-hydroxy-1-phenylpropan-2-yl)-methyl-[(E)-3-phenylprop-2-enyl]azanium chloride?
The canonical SMILES for (1-hydroxy-1-phenylpropan-2-yl)-methyl-[(E)-3-phenylprop-2-enyl]azanium chloride is CC(C(O)c1ccccc1)[NH+](C)C/C=C/c1ccccc1.[Cl-].
What is the InChIKey of (1-hydroxy-1-phenylpropan-2-yl)-methyl-[(E)-3-phenylprop-2-enyl]azanium chloride?
The InChIKey is RSBLYYMNHJDITE-NBYYMMLRSA-N. The full InChI is InChI=1S/C19H23NO.ClH/c1-16(19(21)18-13-7-4-8-14-18)20(2)15-9-12-17-10-5-3-6-11-17;/h3-14,16,19,21H,15H2,1-2H3;1H/b12-9+;.
What are the key properties of (1-hydroxy-1-phenylpropan-2-yl)-methyl-[(E)-3-phenylprop-2-enyl]azanium chloride?
(1-hydroxy-1-phenylpropan-2-yl)-methyl-[(E)-3-phenylprop-2-enyl]azanium chloride has a molecular weight of 317.86 g/mol, XLogP of -0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-1-phenylpropan-2-yl)-methyl-[(E)-3-phenylprop-2-enyl]azanium chloride is sourced from PubChem (CID 6434842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).