1-[diethoxyphosphoryl(phenyl)methyl]naphthalene

C21H23O3P — CID 101476884

IUPAC1-[diethoxyphosphoryl(phenyl)methyl]naphthalene
SMILESCCOP(=O)(OCC)C(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H23O3P/c1-3-23-25(22,24-4-2)21(18-12-6-5-7-13-18)20-16-10-14-17-11-8-9-15-19(17)20/h5-16,21H,3-4H2,1-2H3
InChIKeyJTVMVVXELUFJTG-UHFFFAOYSA-N
MW354.39 g/mol
LogP6.20
Rot. Bonds7

About 1-[diethoxyphosphoryl(phenyl)methyl]naphthalene

1-[diethoxyphosphoryl(phenyl)methyl]naphthalene (PubChem CID 101476884) has the molecular formula C21H23O3P and a molecular weight of 354.39 g/mol. Its IUPAC name is 1-[diethoxyphosphoryl(phenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-[diethoxyphosphoryl(phenyl)methyl]naphthalene
PubChem CID101476884
Molecular FormulaC21H23O3P
Molecular Weight354.39 g/mol
Exact Mass354.14
IUPAC Name1-[diethoxyphosphoryl(phenyl)methyl]naphthalene
SMILESCCOP(=O)(OCC)C(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H23O3P/c1-3-23-25(22,24-4-2)21(18-12-6-5-7-13-18)20-16-10-14-17-11-8-9-15-19(17)20/h5-16,21H,3-4H2,1-2H3
InChIKeyJTVMVVXELUFJTG-UHFFFAOYSA-N
XLogP6.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.39
LogP ≤ 56.20
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

2-[diethoxyphosphoryl-(4-phenylphenyl)methyl]benzenethiol
CID 142499261
4-diethoxyphosphoryl-4-naphthalen-1-ylbutanal
CID 54758130
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
1-chloro-5-[diethoxyphosphoryl(phenyl)methyl]-2,4-dinitrobenzene
CID 42645199
ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate
CID 71517486
[diethoxyphosphoryl(methylsulfonyl)methyl]benzene
CID 14930742
2-diethoxyphosphoryl-2-phenylethanamine
CID 14418072
2-[diethoxyphosphorylsulfanyl(naphthalen-1-yl)methyl]phenol
CID 171526607
(1-bromonaphthalen-2-yl)-diethoxyphosphorylmethanol
CID 86605950
1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene
CID 10404973
[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
CID 98516755
2-diethoxyphosphoryl-N-[3-(hydroxymethyl)naphthalen-2-yl]-2-naphthalen-1-ylacetamide
CID 59851001

Frequently Asked Questions

What is the IUPAC name of 1-[diethoxyphosphoryl(phenyl)methyl]naphthalene?
The IUPAC name of 1-[diethoxyphosphoryl(phenyl)methyl]naphthalene (CID 101476884) is 1-[diethoxyphosphoryl(phenyl)methyl]naphthalene.
What is the SMILES notation for 1-[diethoxyphosphoryl(phenyl)methyl]naphthalene?
The canonical SMILES for 1-[diethoxyphosphoryl(phenyl)methyl]naphthalene is CCOP(=O)(OCC)C(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 1-[diethoxyphosphoryl(phenyl)methyl]naphthalene?
The InChIKey is JTVMVVXELUFJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23O3P/c1-3-23-25(22,24-4-2)21(18-12-6-5-7-13-18)20-16-10-14-17-11-8-9-15-19(17)20/h5-16,21H,3-4H2,1-2H3.
What are the key properties of 1-[diethoxyphosphoryl(phenyl)methyl]naphthalene?
1-[diethoxyphosphoryl(phenyl)methyl]naphthalene has a molecular weight of 354.39 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxyphosphoryl(phenyl)methyl]naphthalene is sourced from PubChem (CID 101476884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).