1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one

C19H23O4P — CID 23002023

IUPAC1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H23O4P/c1-19(2,3)18(20)24(21,22-14-16-10-6-4-7-11-16)23-15-17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyUZATVJCFOHEOIN-UHFFFAOYSA-N
MW346.36 g/mol
LogP5.19
Rot. Bonds7

About 1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one

1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one (PubChem CID 23002023) has the molecular formula C19H23O4P and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one
PubChem CID23002023
Molecular FormulaC19H23O4P
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H23O4P/c1-19(2,3)18(20)24(21,22-14-16-10-6-4-7-11-16)23-15-17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyUZATVJCFOHEOIN-UHFFFAOYSA-N
XLogP5.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.36
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
[phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene
CID 173485287
(E)-1-bis(phenylmethoxy)phosphorylbut-2-en-1-one
CID 11566124
benzyl tert-butyl hydrogen phosphate
CID 140989025
1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one
CID 86202371
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
4-bis(phenylmethoxy)phosphoryloxy-3,3-dimethylbutanoic acid
CID 54093655
dibenzyl hydrogen phosphate;silver
CID 85301331
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
bis(phenylmethoxy)phosphorylboranuide
CID 157313450

Frequently Asked Questions

What is the IUPAC name of 1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one?
The IUPAC name of 1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one (CID 23002023) is 1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)P(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one?
The InChIKey is UZATVJCFOHEOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O4P/c1-19(2,3)18(20)24(21,22-14-16-10-6-4-7-11-16)23-15-17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3.
What are the key properties of 1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one?
1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one has a molecular weight of 346.36 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one is sourced from PubChem (CID 23002023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).