(Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one

C30H25O3P — CID 71734622

IUPAC(Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one
SMILESO=C(/C(=C(/C1(O)CC1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H25O3P/c31-28(24-15-7-2-8-16-24)27(23-13-5-1-6-14-23)29(30(32)21-22-30)34(33,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,32H,21-22H2/b29-27-
InChIKeyIURAOISLHNYQFK-OHYPFYFLSA-N
MW464.50 g/mol
LogP5.82
Rot. Bonds7

About (Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one

(Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one (PubChem CID 71734622) has the molecular formula C30H25O3P and a molecular weight of 464.50 g/mol. Its IUPAC name is (Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one
PubChem CID71734622
Molecular FormulaC30H25O3P
Molecular Weight464.50 g/mol
Exact Mass464.15
IUPAC Name(Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one
SMILESO=C(/C(=C(/C1(O)CC1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H25O3P/c31-28(24-15-7-2-8-16-24)27(23-13-5-1-6-14-23)29(30(32)21-22-30)34(33,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,32H,21-22H2/b29-27-
InChIKeyIURAOISLHNYQFK-OHYPFYFLSA-N
XLogP5.82
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.50
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one (CID 71734622) is (Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one is O=C(/C(=C(/C1(O)CC1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one?
The InChIKey is IURAOISLHNYQFK-OHYPFYFLSA-N. The full InChI is InChI=1S/C30H25O3P/c31-28(24-15-7-2-8-16-24)27(23-13-5-1-6-14-23)29(30(32)21-22-30)34(33,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,32H,21-22H2/b29-27-.
What are the key properties of (Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one?
(Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one has a molecular weight of 464.50 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one is sourced from PubChem (CID 71734622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).