(E)-1-di(propan-2-yloxy)phosphoryl-3-phenylprop-2-en-1-ol

C15H23O4P — CID 6373672

IUPAC(E)-1-di(propan-2-yloxy)phosphoryl-3-phenylprop-2-en-1-ol
SMILESCC(C)OP(=O)(OC(C)C)C(O)/C=C/c1ccccc1
InChIInChI=1S/C15H23O4P/c1-12(2)18-20(17,19-13(3)4)15(16)11-10-14-8-6-5-7-9-14/h5-13,15-16H,1-4H3/b11-10+
InChIKeyVFWCXGDEUUNKEQ-ZHACJKMWSA-N
MW298.32 g/mol
LogP4.06
Rot. Bonds7

About (E)-1-di(propan-2-yloxy)phosphoryl-3-phenylprop-2-en-1-ol

(E)-1-di(propan-2-yloxy)phosphoryl-3-phenylprop-2-en-1-ol (PubChem CID 6373672) has the molecular formula C15H23O4P and a molecular weight of 298.32 g/mol. Its IUPAC name is (E)-1-di(propan-2-yloxy)phosphoryl-3-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-di(propan-2-yloxy)phosphoryl-3-phenylprop-2-en-1-ol
PubChem CID6373672
Molecular FormulaC15H23O4P
Molecular Weight298.32 g/mol
Exact Mass298.13
IUPAC Name(E)-1-di(propan-2-yloxy)phosphoryl-3-phenylprop-2-en-1-ol
SMILESCC(C)OP(=O)(OC(C)C)C(O)/C=C/c1ccccc1
InChIInChI=1S/C15H23O4P/c1-12(2)18-20(17,19-13(3)4)15(16)11-10-14-8-6-5-7-9-14/h5-13,15-16H,1-4H3/b11-10+
InChIKeyVFWCXGDEUUNKEQ-ZHACJKMWSA-N
XLogP4.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-di(propan-2-yloxy)phosphoryl-3-phenylprop-2-en-1-ol?
The IUPAC name of (E)-1-di(propan-2-yloxy)phosphoryl-3-phenylprop-2-en-1-ol (CID 6373672) is (E)-1-di(propan-2-yloxy)phosphoryl-3-phenylprop-2-en-1-ol.
What is the SMILES notation for (E)-1-di(propan-2-yloxy)phosphoryl-3-phenylprop-2-en-1-ol?
The canonical SMILES for (E)-1-di(propan-2-yloxy)phosphoryl-3-phenylprop-2-en-1-ol is CC(C)OP(=O)(OC(C)C)C(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-1-di(propan-2-yloxy)phosphoryl-3-phenylprop-2-en-1-ol?
The InChIKey is VFWCXGDEUUNKEQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H23O4P/c1-12(2)18-20(17,19-13(3)4)15(16)11-10-14-8-6-5-7-9-14/h5-13,15-16H,1-4H3/b11-10+.
What are the key properties of (E)-1-di(propan-2-yloxy)phosphoryl-3-phenylprop-2-en-1-ol?
(E)-1-di(propan-2-yloxy)phosphoryl-3-phenylprop-2-en-1-ol has a molecular weight of 298.32 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-di(propan-2-yloxy)phosphoryl-3-phenylprop-2-en-1-ol is sourced from PubChem (CID 6373672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).