1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one

C25H23O4P — CID 23002016

IUPAC1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)P(=O)(Oc1cccc2ccccc12)Oc1cccc2ccccc12
InChIInChI=1S/C25H23O4P/c1-25(2,3)24(26)30(27,28-22-16-8-12-18-10-4-6-14-20(18)22)29-23-17-9-13-19-11-5-7-15-21(19)23/h4-17H,1-3H3
InChIKeyVMLUFOWRBYTIPO-UHFFFAOYSA-N
MW418.43 g/mol
LogP7.22
Rot. Bonds5

About 1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one

1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one (PubChem CID 23002016) has the molecular formula C25H23O4P and a molecular weight of 418.43 g/mol. Its IUPAC name is 1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one
PubChem CID23002016
Molecular FormulaC25H23O4P
Molecular Weight418.43 g/mol
Exact Mass418.13
IUPAC Name1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)P(=O)(Oc1cccc2ccccc12)Oc1cccc2ccccc12
InChIInChI=1S/C25H23O4P/c1-25(2,3)24(26)30(27,28-22-16-8-12-18-10-4-6-14-20(18)22)29-23-17-9-13-19-11-5-7-15-21(19)23/h4-17H,1-3H3
InChIKeyVMLUFOWRBYTIPO-UHFFFAOYSA-N
XLogP7.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.43
LogP ≤ 57.22
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

phenyl dinaphthalen-1-yloxyphosphorylformate
CID 87699801
sodium naphthalen-1-yl phosphate
CID 22991747
silver naphthalen-1-yl phosphate
CID 23471186
dicesium;naphthalen-1-yl phosphate
CID 139842203
naphthalen-1-yl 2-amino-2-methylpropanoate
CID 70178534
N-tert-butyl-2-naphthalen-1-yloxyacetamide
CID 954544
2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate
CID 122532077
[hydroxy(naphthalen-1-yloxy)phosphoryl] formate
CID 67570808
3-methyl-3-naphthalen-1-yloxybutanoic acid
CID 82085420
(3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one
CID 58369210
[chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate
CID 87292222
1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one
CID 23002023

Frequently Asked Questions

What is the IUPAC name of 1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one?
The IUPAC name of 1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one (CID 23002016) is 1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)P(=O)(Oc1cccc2ccccc12)Oc1cccc2ccccc12.
What is the InChIKey of 1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one?
The InChIKey is VMLUFOWRBYTIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23O4P/c1-25(2,3)24(26)30(27,28-22-16-8-12-18-10-4-6-14-20(18)22)29-23-17-9-13-19-11-5-7-15-21(19)23/h4-17H,1-3H3.
What are the key properties of 1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one?
1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one has a molecular weight of 418.43 g/mol, XLogP of 7.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one is sourced from PubChem (CID 23002016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).