(Z)-2-[ethoxy(phenyl)phosphoryl]-1,3-diphenylprop-2-en-1-one

C23H21O3P — CID 5475891

IUPAC(Z)-2-[ethoxy(phenyl)phosphoryl]-1,3-diphenylprop-2-en-1-one
SMILESCCOP(=O)(/C(=C\c1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21O3P/c1-2-26-27(25,21-16-10-5-11-17-21)22(18-19-12-6-3-7-13-19)23(24)20-14-8-4-9-15-20/h3-18H,2H2,1H3/b22-18-
InChIKeyBCAMRFNQIJGXMZ-PYCFMQQDSA-N
MW376.39 g/mol
LogP5.55
Rot. Bonds7

About (Z)-2-[ethoxy(phenyl)phosphoryl]-1,3-diphenylprop-2-en-1-one

(Z)-2-[ethoxy(phenyl)phosphoryl]-1,3-diphenylprop-2-en-1-one (PubChem CID 5475891) has the molecular formula C23H21O3P and a molecular weight of 376.39 g/mol. Its IUPAC name is (Z)-2-[ethoxy(phenyl)phosphoryl]-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-[ethoxy(phenyl)phosphoryl]-1,3-diphenylprop-2-en-1-one
PubChem CID5475891
Molecular FormulaC23H21O3P
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name(Z)-2-[ethoxy(phenyl)phosphoryl]-1,3-diphenylprop-2-en-1-one
SMILESCCOP(=O)(/C(=C\c1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21O3P/c1-2-26-27(25,21-16-10-5-11-17-21)22(18-19-12-6-3-7-13-19)23(24)20-14-8-4-9-15-20/h3-18H,2H2,1H3/b22-18-
InChIKeyBCAMRFNQIJGXMZ-PYCFMQQDSA-N
XLogP5.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.39
LogP ≤ 55.55
H-Bond Donors ≤ 50
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

(E)-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]-3-phenylprop-2-enamide
CID 11864836
[3-(4-methylphenyl)-3-oxo-1-phenylprop-1-en-2-yl]phosphonic acid
CID 66796627
(Z)-2-benzamido-3-[ethoxy(phenyl)phosphoryl]-3-phenylprop-2-enoic acid
CID 2053046
(E)-2-benzamido-3-[ethoxy(phenyl)phosphoryl]-3-phenylprop-2-enoic acid
CID 11863428
ethyl (E)-2-benzoyl-3-phenylprop-2-enoate
CID 5378099
[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone
CID 118237088
2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone
CID 929448
ethyl (Z)-2-diethoxyphosphoryl-3-phenylprop-2-enedithioate
CID 101052143
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide
CID 2305792
(E)-4-diethoxyphosphoryl-3-phenylbut-2-enoic acid
CID 87453545
[ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone
CID 171613029

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[ethoxy(phenyl)phosphoryl]-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-2-[ethoxy(phenyl)phosphoryl]-1,3-diphenylprop-2-en-1-one (CID 5475891) is (Z)-2-[ethoxy(phenyl)phosphoryl]-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-2-[ethoxy(phenyl)phosphoryl]-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-2-[ethoxy(phenyl)phosphoryl]-1,3-diphenylprop-2-en-1-one is CCOP(=O)(/C(=C\c1ccccc1)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2-[ethoxy(phenyl)phosphoryl]-1,3-diphenylprop-2-en-1-one?
The InChIKey is BCAMRFNQIJGXMZ-PYCFMQQDSA-N. The full InChI is InChI=1S/C23H21O3P/c1-2-26-27(25,21-16-10-5-11-17-21)22(18-19-12-6-3-7-13-19)23(24)20-14-8-4-9-15-20/h3-18H,2H2,1H3/b22-18-.
What are the key properties of (Z)-2-[ethoxy(phenyl)phosphoryl]-1,3-diphenylprop-2-en-1-one?
(Z)-2-[ethoxy(phenyl)phosphoryl]-1,3-diphenylprop-2-en-1-one has a molecular weight of 376.39 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[ethoxy(phenyl)phosphoryl]-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 5475891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).