1-(2-diethoxyphosphorylnaphthalen-1-yl)-2-methoxynaphthalene

C25H25O4P — CID 58067237

IUPAC1-(2-diethoxyphosphorylnaphthalen-1-yl)-2-methoxynaphthalene
SMILESCCOP(=O)(OCC)c1ccc2ccccc2c1-c1c(OC)ccc2ccccc12
InChIInChI=1S/C25H25O4P/c1-4-28-30(26,29-5-2)23-17-15-19-11-7-9-13-21(19)25(23)24-20-12-8-6-10-18(20)14-16-22(24)27-3/h6-17H,4-5H2,1-3H3
InChIKeyYAJAKNXNVKXVAI-UHFFFAOYSA-N
MW420.45 g/mol
LogP6.56
Rot. Bonds7

About 1-(2-diethoxyphosphorylnaphthalen-1-yl)-2-methoxynaphthalene

1-(2-diethoxyphosphorylnaphthalen-1-yl)-2-methoxynaphthalene (PubChem CID 58067237) has the molecular formula C25H25O4P and a molecular weight of 420.45 g/mol. Its IUPAC name is 1-(2-diethoxyphosphorylnaphthalen-1-yl)-2-methoxynaphthalene.

Molecular Properties

Compound Name1-(2-diethoxyphosphorylnaphthalen-1-yl)-2-methoxynaphthalene
PubChem CID58067237
Molecular FormulaC25H25O4P
Molecular Weight420.45 g/mol
Exact Mass420.15
IUPAC Name1-(2-diethoxyphosphorylnaphthalen-1-yl)-2-methoxynaphthalene
SMILESCCOP(=O)(OCC)c1ccc2ccccc2c1-c1c(OC)ccc2ccccc12
InChIInChI=1S/C25H25O4P/c1-4-28-30(26,29-5-2)23-17-15-19-11-7-9-13-21(19)25(23)24-20-12-8-6-10-18(20)14-16-22(24)27-3/h6-17H,4-5H2,1-3H3
InChIKeyYAJAKNXNVKXVAI-UHFFFAOYSA-N
XLogP6.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.45
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-diethoxyphosphorylnaphthalen-1-yl)-2-methoxynaphthalene?
The IUPAC name of 1-(2-diethoxyphosphorylnaphthalen-1-yl)-2-methoxynaphthalene (CID 58067237) is 1-(2-diethoxyphosphorylnaphthalen-1-yl)-2-methoxynaphthalene.
What is the SMILES notation for 1-(2-diethoxyphosphorylnaphthalen-1-yl)-2-methoxynaphthalene?
The canonical SMILES for 1-(2-diethoxyphosphorylnaphthalen-1-yl)-2-methoxynaphthalene is CCOP(=O)(OCC)c1ccc2ccccc2c1-c1c(OC)ccc2ccccc12.
What is the InChIKey of 1-(2-diethoxyphosphorylnaphthalen-1-yl)-2-methoxynaphthalene?
The InChIKey is YAJAKNXNVKXVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25O4P/c1-4-28-30(26,29-5-2)23-17-15-19-11-7-9-13-21(19)25(23)24-20-12-8-6-10-18(20)14-16-22(24)27-3/h6-17H,4-5H2,1-3H3.
What are the key properties of 1-(2-diethoxyphosphorylnaphthalen-1-yl)-2-methoxynaphthalene?
1-(2-diethoxyphosphorylnaphthalen-1-yl)-2-methoxynaphthalene has a molecular weight of 420.45 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diethoxyphosphorylnaphthalen-1-yl)-2-methoxynaphthalene is sourced from PubChem (CID 58067237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).