2-diethoxyphosphoryl-1-(2-ethylphenyl)naphthalene

C22H25O3P — CID 11187768

IUPAC2-diethoxyphosphoryl-1-(2-ethylphenyl)naphthalene
SMILESCCOP(=O)(OCC)c1ccc2ccccc2c1-c1ccccc1CC
InChIInChI=1S/C22H25O3P/c1-4-17-11-7-9-13-19(17)22-20-14-10-8-12-18(20)15-16-21(22)26(23,24-5-2)25-6-3/h7-16H,4-6H2,1-3H3
InChIKeyCRBKDACPQXCSKX-UHFFFAOYSA-N
MW368.41 g/mol
LogP5.96
Rot. Bonds7

About 2-diethoxyphosphoryl-1-(2-ethylphenyl)naphthalene

2-diethoxyphosphoryl-1-(2-ethylphenyl)naphthalene (PubChem CID 11187768) has the molecular formula C22H25O3P and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1-(2-ethylphenyl)naphthalene.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1-(2-ethylphenyl)naphthalene
PubChem CID11187768
Molecular FormulaC22H25O3P
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name2-diethoxyphosphoryl-1-(2-ethylphenyl)naphthalene
SMILESCCOP(=O)(OCC)c1ccc2ccccc2c1-c1ccccc1CC
InChIInChI=1S/C22H25O3P/c1-4-17-11-7-9-13-19(17)22-20-14-10-8-12-18(20)15-16-21(22)26(23,24-5-2)25-6-3/h7-16H,4-6H2,1-3H3
InChIKeyCRBKDACPQXCSKX-UHFFFAOYSA-N
XLogP5.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl P-(1-naphthalenylmethyl)phosphonate
CID 101271
1-(Diphenyl-phosphinoylmethyl)-naphthalene
CID 260859
1-(1-Naphthyl)ethenylphosphonic acid
CID 657859
P-(1-Naphthalenylmethyl)phosphonic acid
CID 96536
2-[1-Diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene
CID 70695905
1-[1-Diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene
CID 70695906
9-[2,2-Bis(diethoxyphosphoryl)ethenyl]anthracene
CID 130362615
Diethyl 2-(naphthalen-1-yl)ethyl phosphite
CID 116075
4-(1-Pyrenyl)butyl methylphosphonofluoridate
CID 125653
[(E)-3-methyl-5-naphthalen-2-ylpent-2-enyl] phosphono hydrogen phosphate
CID 10407776
(2-Biphenyl-4-yl-1-naphthalen-1-yl-ethyl)-phosphonic acid
CID 44296527
2-Naphthalen-1-ylethylphosphonic acid
CID 10082823

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1-(2-ethylphenyl)naphthalene?
The IUPAC name of 2-diethoxyphosphoryl-1-(2-ethylphenyl)naphthalene (CID 11187768) is 2-diethoxyphosphoryl-1-(2-ethylphenyl)naphthalene.
What is the SMILES notation for 2-diethoxyphosphoryl-1-(2-ethylphenyl)naphthalene?
The canonical SMILES for 2-diethoxyphosphoryl-1-(2-ethylphenyl)naphthalene is CCOP(=O)(OCC)c1ccc2ccccc2c1-c1ccccc1CC.
What is the InChIKey of 2-diethoxyphosphoryl-1-(2-ethylphenyl)naphthalene?
The InChIKey is CRBKDACPQXCSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25O3P/c1-4-17-11-7-9-13-19(17)22-20-14-10-8-12-18(20)15-16-21(22)26(23,24-5-2)25-6-3/h7-16H,4-6H2,1-3H3.
What are the key properties of 2-diethoxyphosphoryl-1-(2-ethylphenyl)naphthalene?
2-diethoxyphosphoryl-1-(2-ethylphenyl)naphthalene has a molecular weight of 368.41 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1-(2-ethylphenyl)naphthalene is sourced from PubChem (CID 11187768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).