2-diethoxyphosphoryl-1-naphthalen-2-ylethanone

C16H19O4P — CID 177460457

IUPAC2-diethoxyphosphoryl-1-naphthalen-2-ylethanone
SMILESCCOP(=O)(CC(=O)c1ccc2ccccc2c1)OCC
InChIInChI=1S/C16H19O4P/c1-3-19-21(18,20-4-2)12-16(17)15-10-9-13-7-5-6-8-14(13)11-15/h5-11H,3-4,12H2,1-2H3
InChIKeyHLCKQQHZBRGDQC-UHFFFAOYSA-N
MW306.30 g/mol
LogP4.29
Rot. Bonds7

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

2-diethoxyphosphoryl-1-naphthalen-2-ylethanone (PubChem CID 177460457) has the molecular formula C16H19O4P and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1-naphthalen-2-ylethanone
PubChem CID177460457
Molecular FormulaC16H19O4P
Molecular Weight306.30 g/mol
Exact Mass306.10
IUPAC Name2-diethoxyphosphoryl-1-naphthalen-2-ylethanone
SMILESCCOP(=O)(CC(=O)c1ccc2ccccc2c1)OCC
InChIInChI=1S/C16H19O4P/c1-3-19-21(18,20-4-2)12-16(17)15-10-9-13-7-5-6-8-14(13)11-15/h5-11H,3-4,12H2,1-2H3
InChIKeyHLCKQQHZBRGDQC-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

ethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid
CID 87885614
N-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide
CID 19700500
methyl 4-(2-diethoxyphosphorylacetyl)benzoate
CID 86060714
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
(2-anthracen-2-yl-2-oxoethyl)-dimethylsulfanium
CID 58905985
triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium
CID 130452133
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
propanoyl naphthalene-2-carboxylate
CID 118192395
[dimethyl-(2-naphthalen-2-yl-2-oxoethyl)-λ4-sulfanyl] propane-1-sulfonate
CID 139974854
(E)-4-diethoxyphosphoryl-3-phenylbut-2-enoic acid
CID 87453545
3-ethylimino-1-naphthalen-2-ylpropan-1-one
CID 91601607

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1-naphthalen-2-ylethanone?
The IUPAC name of 2-diethoxyphosphoryl-1-naphthalen-2-ylethanone (CID 177460457) is 2-diethoxyphosphoryl-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2-diethoxyphosphoryl-1-naphthalen-2-ylethanone?
The canonical SMILES for 2-diethoxyphosphoryl-1-naphthalen-2-ylethanone is CCOP(=O)(CC(=O)c1ccc2ccccc2c1)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-1-naphthalen-2-ylethanone?
The InChIKey is HLCKQQHZBRGDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O4P/c1-3-19-21(18,20-4-2)12-16(17)15-10-9-13-7-5-6-8-14(13)11-15/h5-11H,3-4,12H2,1-2H3.
What are the key properties of 2-diethoxyphosphoryl-1-naphthalen-2-ylethanone?
2-diethoxyphosphoryl-1-naphthalen-2-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-2-ylethanone is sourced from PubChem (CID 177460457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).