2-diethoxyphosphoryl-1-naphthalen-1-ylethanone

C16H19O4P — CID 152783662

IUPAC2-diethoxyphosphoryl-1-naphthalen-1-ylethanone
SMILESCCOP(=O)(CC(=O)c1cccc2ccccc12)OCC
InChIInChI=1S/C16H19O4P/c1-3-19-21(18,20-4-2)12-16(17)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,3-4,12H2,1-2H3
InChIKeyRSHNFILOMIJANH-UHFFFAOYSA-N
MW306.30 g/mol
LogP4.29
Rot. Bonds7

About 2-diethoxyphosphoryl-1-naphthalen-1-ylethanone

2-diethoxyphosphoryl-1-naphthalen-1-ylethanone (PubChem CID 152783662) has the molecular formula C16H19O4P and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1-naphthalen-1-ylethanone.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1-naphthalen-1-ylethanone
PubChem CID152783662
Molecular FormulaC16H19O4P
Molecular Weight306.30 g/mol
Exact Mass306.10
IUPAC Name2-diethoxyphosphoryl-1-naphthalen-1-ylethanone
SMILESCCOP(=O)(CC(=O)c1cccc2ccccc12)OCC
InChIInChI=1S/C16H19O4P/c1-3-19-21(18,20-4-2)12-16(17)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,3-4,12H2,1-2H3
InChIKeyRSHNFILOMIJANH-UHFFFAOYSA-N
XLogP4.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 54.29
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

diethoxyphosphoryl(naphthalen-1-yl)methanone
CID 23002000
2-diethoxyphosphoryl-1-naphthalen-2-ylethanone
CID 177460457
dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium
CID 58905973
4-ethoxy-1-naphthalen-1-ylbutan-1-one
CID 105094445
2,2-diethoxy-1-naphthalen-1-ylethanone
CID 79495258
3-ethyl-1-naphthalen-1-ylpentan-1-one
CID 82920782
3-(2-methoxyethoxy)-1-naphthalen-1-ylpropan-1-one
CID 113236326
1-naphthalen-1-yldodecan-1-one
CID 3424169
1-(diethoxyphosphorylmethyl)phenanthrene
CID 141159184
3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 19872190
bromo naphthalene-1-carboxylate
CID 68796403
4-amino-1-naphthalen-1-ylpentan-1-one
CID 116571827

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1-naphthalen-1-ylethanone?
The IUPAC name of 2-diethoxyphosphoryl-1-naphthalen-1-ylethanone (CID 152783662) is 2-diethoxyphosphoryl-1-naphthalen-1-ylethanone.
What is the SMILES notation for 2-diethoxyphosphoryl-1-naphthalen-1-ylethanone?
The canonical SMILES for 2-diethoxyphosphoryl-1-naphthalen-1-ylethanone is CCOP(=O)(CC(=O)c1cccc2ccccc12)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-1-naphthalen-1-ylethanone?
The InChIKey is RSHNFILOMIJANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O4P/c1-3-19-21(18,20-4-2)12-16(17)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,3-4,12H2,1-2H3.
What are the key properties of 2-diethoxyphosphoryl-1-naphthalen-1-ylethanone?
2-diethoxyphosphoryl-1-naphthalen-1-ylethanone has a molecular weight of 306.30 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1-naphthalen-1-ylethanone is sourced from PubChem (CID 152783662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).