ethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid

C14H15O4P — CID 87885614

IUPACethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid
SMILESCCOP(=O)(O)CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H15O4P/c1-2-18-19(16,17)10-14(15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyLUQOAURUBABQRA-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.24
Rot. Bonds5

About ethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid

ethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid (PubChem CID 87885614) has the molecular formula C14H15O4P and a molecular weight of 278.24 g/mol. Its IUPAC name is ethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid.

Molecular Properties

Compound Nameethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid
PubChem CID87885614
Molecular FormulaC14H15O4P
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Nameethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid
SMILESCCOP(=O)(O)CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H15O4P/c1-2-18-19(16,17)10-14(15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyLUQOAURUBABQRA-UHFFFAOYSA-N
XLogP3.24
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphoryl-1-naphthalen-2-ylethanone
CID 177460457
ethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid
CID 87885688
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid
CID 174747864
[dimethyl-(2-naphthalen-2-yl-2-oxoethyl)-λ4-sulfanyl] propane-1-sulfonate
CID 139974854
triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium
CID 130452133
N-propylnaphthalene-2-carboxamide
CID 6624536
N-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide
CID 19700500
anthracen-9-ylmethyl(ethoxy)phosphinic acid
CID 87175463
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid
CID 86095928
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534

Frequently Asked Questions

What is the IUPAC name of ethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid?
The IUPAC name of ethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid (CID 87885614) is ethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid.
What is the SMILES notation for ethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid?
The canonical SMILES for ethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid is CCOP(=O)(O)CC(=O)c1ccc2ccccc2c1.
What is the InChIKey of ethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid?
The InChIKey is LUQOAURUBABQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O4P/c1-2-18-19(16,17)10-14(15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3,(H,16,17).
What are the key properties of ethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid?
ethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid has a molecular weight of 278.24 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid is sourced from PubChem (CID 87885614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).