2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene

C24H25O3P — CID 162414662

IUPAC2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene
SMILESCCOP(=O)(OCC)c1ccc2ccccc2c1C1=CCCc2ccccc21
InChIInChI=1S/C24H25O3P/c1-3-26-28(25,27-4-2)23-17-16-19-11-6-8-14-21(19)24(23)22-15-9-12-18-10-5-7-13-20(18)22/h5-8,10-11,13-17H,3-4,9,12H2,1-2H3
InChIKeyPXVRZSDHGNUFMX-UHFFFAOYSA-N
MW392.44 g/mol
LogP6.11
Rot. Bonds6

About 2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene

2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene (PubChem CID 162414662) has the molecular formula C24H25O3P and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene
PubChem CID162414662
Molecular FormulaC24H25O3P
Molecular Weight392.44 g/mol
Exact Mass392.15
IUPAC Name2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene
SMILESCCOP(=O)(OCC)c1ccc2ccccc2c1C1=CCCc2ccccc21
InChIInChI=1S/C24H25O3P/c1-3-26-28(25,27-4-2)23-17-16-19-11-6-8-14-21(19)24(23)22-15-9-12-18-10-5-7-13-20(18)22/h5-8,10-11,13-17H,3-4,9,12H2,1-2H3
InChIKeyPXVRZSDHGNUFMX-UHFFFAOYSA-N
XLogP6.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.44
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydronaphthalen-1-yl)-2-diphenoxyphosphorylnaphthalene
CID 177436997
2-(2-diethoxyphosphorylnaphthalen-1-yl)benzoic acid
CID 102106648
1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene
CID 122233213
2-diethoxyphosphorylnaphthalene-1-carboxamide
CID 162351368
1-diethoxyphosphoryl-4-methylnaphthalene
CID 122695096
9,10-dihydrophenanthrene;phenanthrene
CID 159340402
[1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate
CID 11432924
1-diethoxyphosphorylnaphthalen-2-ol
CID 15782261
9-(cyclohexen-1-yl)-10-(3,4-dihydronaphthalen-1-yl)anthracene
CID 123681996
6-diethoxyphosphoryl-5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-dihydro-2-benzofuran
CID 59216878
2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene
CID 20606068
9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 158707285

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene?
The IUPAC name of 2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene (CID 162414662) is 2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene.
What is the SMILES notation for 2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene?
The canonical SMILES for 2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene is CCOP(=O)(OCC)c1ccc2ccccc2c1C1=CCCc2ccccc21.
What is the InChIKey of 2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene?
The InChIKey is PXVRZSDHGNUFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25O3P/c1-3-26-28(25,27-4-2)23-17-16-19-11-6-8-14-21(19)24(23)22-15-9-12-18-10-5-7-13-20(18)22/h5-8,10-11,13-17H,3-4,9,12H2,1-2H3.
What are the key properties of 2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene?
2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene has a molecular weight of 392.44 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene is sourced from PubChem (CID 162414662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).