1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene

C21H23O4P — CID 122233213

IUPAC1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene
SMILESCCOP(=O)(OCC)c1ccccc1-c1c(OC)ccc2ccccc12
InChIInChI=1S/C21H23O4P/c1-4-24-26(22,25-5-2)20-13-9-8-12-18(20)21-17-11-7-6-10-16(17)14-15-19(21)23-3/h6-15H,4-5H2,1-3H3
InChIKeyZEEKDQZGEBRANQ-UHFFFAOYSA-N
MW370.39 g/mol
LogP5.41
Rot. Bonds7

About 1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene

1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene (PubChem CID 122233213) has the molecular formula C21H23O4P and a molecular weight of 370.39 g/mol. Its IUPAC name is 1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene.

Molecular Properties

Compound Name1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene
PubChem CID122233213
Molecular FormulaC21H23O4P
Molecular Weight370.39 g/mol
Exact Mass370.13
IUPAC Name1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene
SMILESCCOP(=O)(OCC)c1ccccc1-c1c(OC)ccc2ccccc12
InChIInChI=1S/C21H23O4P/c1-4-24-26(22,25-5-2)20-13-9-8-12-18(20)21-17-11-7-6-10-16(17)14-15-19(21)23-3/h6-15H,4-5H2,1-3H3
InChIKeyZEEKDQZGEBRANQ-UHFFFAOYSA-N
XLogP5.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.39
LogP ≤ 55.41
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

6-diethoxyphosphoryl-5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-dihydro-2-benzofuran
CID 59216878
2-(2-diethoxyphosphorylnaphthalen-1-yl)benzoic acid
CID 102106648
[1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate
CID 11432924
1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene
CID 169227684
2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene
CID 162414662
1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 46939365
2-diethoxyphosphorylnaphthalene-1-carboxamide
CID 162351368
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]oxyphosphane
CID 129073654
1-diethoxyphosphoryl-4-methylnaphthalene
CID 122695096
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
1-diethoxyphosphorylnaphthalen-2-ol
CID 15782261
1-ethoxy-2-methoxynaphthalene
CID 45093938

Frequently Asked Questions

What is the IUPAC name of 1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene?
The IUPAC name of 1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene (CID 122233213) is 1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene.
What is the SMILES notation for 1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene?
The canonical SMILES for 1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene is CCOP(=O)(OCC)c1ccccc1-c1c(OC)ccc2ccccc12.
What is the InChIKey of 1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene?
The InChIKey is ZEEKDQZGEBRANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23O4P/c1-4-24-26(22,25-5-2)20-13-9-8-12-18(20)21-17-11-7-6-10-16(17)14-15-19(21)23-3/h6-15H,4-5H2,1-3H3.
What are the key properties of 1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene?
1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene has a molecular weight of 370.39 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene is sourced from PubChem (CID 122233213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).