2-[2-[bis(dimethylamino)phosphoryloxy]phenyl]-1-phenylethanone

C18H23N2O3P — CID 14483149

IUPAC2-[2-[bis(dimethylamino)phosphoryloxy]phenyl]-1-phenylethanone
SMILESCN(C)P(=O)(Oc1ccccc1CC(=O)c1ccccc1)N(C)C
InChIInChI=1S/C18H23N2O3P/c1-19(2)24(22,20(3)4)23-18-13-9-8-12-16(18)14-17(21)15-10-6-5-7-11-15/h5-13H,14H2,1-4H3
InChIKeyFQCSQNRLISHWIH-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.72
Rot. Bonds7

About 2-[2-[bis(dimethylamino)phosphoryloxy]phenyl]-1-phenylethanone

2-[2-[bis(dimethylamino)phosphoryloxy]phenyl]-1-phenylethanone (PubChem CID 14483149) has the molecular formula C18H23N2O3P and a molecular weight of 346.37 g/mol. Its IUPAC name is 2-[2-[bis(dimethylamino)phosphoryloxy]phenyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-[bis(dimethylamino)phosphoryloxy]phenyl]-1-phenylethanone
PubChem CID14483149
Molecular FormulaC18H23N2O3P
Molecular Weight346.37 g/mol
Exact Mass346.14
IUPAC Name2-[2-[bis(dimethylamino)phosphoryloxy]phenyl]-1-phenylethanone
SMILESCN(C)P(=O)(Oc1ccccc1CC(=O)c1ccccc1)N(C)C
InChIInChI=1S/C18H23N2O3P/c1-19(2)24(22,20(3)4)23-18-13-9-8-12-16(18)14-17(21)15-10-6-5-7-11-15/h5-13H,14H2,1-4H3
InChIKeyFQCSQNRLISHWIH-UHFFFAOYSA-N
XLogP3.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.72
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

[2-[bis(dimethylamino)phosphoryloxy]phenyl]-(4-methoxyphenyl)methanone
CID 14791047
1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
N-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine
CID 71427934
2-[2-[chloro-(dimethylamino)-diphenyl-λ5-phosphanyl]phenyl]-1-phenylethanone
CID 140694854
2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
1-phenyl-2-(2,3,4-trimethoxyphenyl)ethanone
CID 10108046
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone
CID 116577781
2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone
CID 61079159

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(dimethylamino)phosphoryloxy]phenyl]-1-phenylethanone?
The IUPAC name of 2-[2-[bis(dimethylamino)phosphoryloxy]phenyl]-1-phenylethanone (CID 14483149) is 2-[2-[bis(dimethylamino)phosphoryloxy]phenyl]-1-phenylethanone.
What is the SMILES notation for 2-[2-[bis(dimethylamino)phosphoryloxy]phenyl]-1-phenylethanone?
The canonical SMILES for 2-[2-[bis(dimethylamino)phosphoryloxy]phenyl]-1-phenylethanone is CN(C)P(=O)(Oc1ccccc1CC(=O)c1ccccc1)N(C)C.
What is the InChIKey of 2-[2-[bis(dimethylamino)phosphoryloxy]phenyl]-1-phenylethanone?
The InChIKey is FQCSQNRLISHWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N2O3P/c1-19(2)24(22,20(3)4)23-18-13-9-8-12-16(18)14-17(21)15-10-6-5-7-11-15/h5-13H,14H2,1-4H3.
What are the key properties of 2-[2-[bis(dimethylamino)phosphoryloxy]phenyl]-1-phenylethanone?
2-[2-[bis(dimethylamino)phosphoryloxy]phenyl]-1-phenylethanone has a molecular weight of 346.37 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(dimethylamino)phosphoryloxy]phenyl]-1-phenylethanone is sourced from PubChem (CID 14483149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).