(2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one

C18H21O3P — CID 11861697

IUPAC(2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one
SMILESCCO[P@](=O)(c1ccccc1)[C@@H](CC)C(=O)c1ccccc1
InChIInChI=1S/C18H21O3P/c1-3-17(18(19)15-11-7-5-8-12-15)22(20,21-4-2)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3/t17-,22+/m0/s1
InChIKeyJJSYSFCSAZQCKU-HTAPYJJXSA-N
MW316.34 g/mol
LogP4.29
Rot. Bonds7

About (2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one

(2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one (PubChem CID 11861697) has the molecular formula C18H21O3P and a molecular weight of 316.34 g/mol. Its IUPAC name is (2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one
PubChem CID11861697
Molecular FormulaC18H21O3P
Molecular Weight316.34 g/mol
Exact Mass316.12
IUPAC Name(2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one
SMILESCCO[P@](=O)(c1ccccc1)[C@@H](CC)C(=O)c1ccccc1
InChIInChI=1S/C18H21O3P/c1-3-17(18(19)15-11-7-5-8-12-15)22(20,21-4-2)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3/t17-,22+/m0/s1
InChIKeyJJSYSFCSAZQCKU-HTAPYJJXSA-N
XLogP4.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide
CID 11784176
2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
CID 122232536
2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol
CID 46220815
1-[ethoxy(phenyl)phosphoryl]ethylbenzene
CID 11778094
(R)-[ethoxy(phenyl)phosphoryl]-(4-fluorophenyl)methanol
CID 11860165
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
[[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene
CID 10449767
ethyl 2-diphenylphosphorylbutanoate
CID 3289808
2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone
CID 929448
N-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 15882211
[ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene
CID 23280723
methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate
CID 2133146

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one?
The IUPAC name of (2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one (CID 11861697) is (2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one.
What is the SMILES notation for (2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one?
The canonical SMILES for (2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one is CCO[P@](=O)(c1ccccc1)[C@@H](CC)C(=O)c1ccccc1.
What is the InChIKey of (2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one?
The InChIKey is JJSYSFCSAZQCKU-HTAPYJJXSA-N. The full InChI is InChI=1S/C18H21O3P/c1-3-17(18(19)15-11-7-5-8-12-15)22(20,21-4-2)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3/t17-,22+/m0/s1.
What are the key properties of (2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one?
(2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one has a molecular weight of 316.34 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one is sourced from PubChem (CID 11861697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).