(Z)-3-bis(4-chlorophenyl)phosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one

C30H23Cl2O3P — CID 71734804

IUPAC(Z)-3-bis(4-chlorophenyl)phosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one
SMILESO=C(/C(=C(/C1(O)CC1)P(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H23Cl2O3P/c31-23-11-15-25(16-12-23)36(35,26-17-13-24(32)14-18-26)29(30(34)19-20-30)27(21-7-3-1-4-8-21)28(33)22-9-5-2-6-10-22/h1-18,34H,19-20H2/b29-27-
InChIKeyUDDIJPFLZVRIFJ-OHYPFYFLSA-N
MW533.39 g/mol
LogP7.13
Rot. Bonds7

About (Z)-3-bis(4-chlorophenyl)phosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one

(Z)-3-bis(4-chlorophenyl)phosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one (PubChem CID 71734804) has the molecular formula C30H23Cl2O3P and a molecular weight of 533.39 g/mol. Its IUPAC name is (Z)-3-bis(4-chlorophenyl)phosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-bis(4-chlorophenyl)phosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one
PubChem CID71734804
Molecular FormulaC30H23Cl2O3P
Molecular Weight533.39 g/mol
Exact Mass532.08
IUPAC Name(Z)-3-bis(4-chlorophenyl)phosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one
SMILESO=C(/C(=C(/C1(O)CC1)P(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H23Cl2O3P/c31-23-11-15-25(16-12-23)36(35,26-17-13-24(32)14-18-26)29(30(34)19-20-30)27(21-7-3-1-4-8-21)28(33)22-9-5-2-6-10-22/h1-18,34H,19-20H2/b29-27-
InChIKeyUDDIJPFLZVRIFJ-OHYPFYFLSA-N
XLogP7.13
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.39
LogP ≤ 57.13
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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Related Compounds

(Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one
CID 71734622
(Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1-(4-methylphenyl)-2-phenylprop-2-en-1-one
CID 71734621
(Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1-(4-methoxyphenyl)-2-phenylprop-2-en-1-one
CID 71734625
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(4-chlorophenyl)-(1-hydroxycyclopentyl)methanone
CID 20523462
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
(5-benzoyl-5-methyl-2-phenylcyclopenten-1-yl)-(4-chlorophenyl)methanone
CID 56601412
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950

Frequently Asked Questions

What is the IUPAC name of (Z)-3-bis(4-chlorophenyl)phosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-3-bis(4-chlorophenyl)phosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one (CID 71734804) is (Z)-3-bis(4-chlorophenyl)phosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-bis(4-chlorophenyl)phosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-bis(4-chlorophenyl)phosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one is O=C(/C(=C(/C1(O)CC1)P(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3-bis(4-chlorophenyl)phosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one?
The InChIKey is UDDIJPFLZVRIFJ-OHYPFYFLSA-N. The full InChI is InChI=1S/C30H23Cl2O3P/c31-23-11-15-25(16-12-23)36(35,26-17-13-24(32)14-18-26)29(30(34)19-20-30)27(21-7-3-1-4-8-21)28(33)22-9-5-2-6-10-22/h1-18,34H,19-20H2/b29-27-.
What are the key properties of (Z)-3-bis(4-chlorophenyl)phosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one?
(Z)-3-bis(4-chlorophenyl)phosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one has a molecular weight of 533.39 g/mol, XLogP of 7.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-bis(4-chlorophenyl)phosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one is sourced from PubChem (CID 71734804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).