1-diethoxyphosphorylnaphthalen-2-ol

C14H17O4P — CID 15782261

IUPAC1-diethoxyphosphorylnaphthalen-2-ol
SMILESCCOP(=O)(OCC)c1c(O)ccc2ccccc12
InChIInChI=1S/C14H17O4P/c1-3-17-19(16,18-4-2)14-12-8-6-5-7-11(12)9-10-13(14)15/h5-10,15H,3-4H2,1-2H3
InChIKeyDNWTYGUNARXRSP-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.44
Rot. Bonds5

About 1-diethoxyphosphorylnaphthalen-2-ol

1-diethoxyphosphorylnaphthalen-2-ol (PubChem CID 15782261) has the molecular formula C14H17O4P and a molecular weight of 280.26 g/mol. Its IUPAC name is 1-diethoxyphosphorylnaphthalen-2-ol.

Molecular Properties

Compound Name1-diethoxyphosphorylnaphthalen-2-ol
PubChem CID15782261
Molecular FormulaC14H17O4P
Molecular Weight280.26 g/mol
Exact Mass280.09
IUPAC Name1-diethoxyphosphorylnaphthalen-2-ol
SMILESCCOP(=O)(OCC)c1c(O)ccc2ccccc12
InChIInChI=1S/C14H17O4P/c1-3-17-19(16,18-4-2)14-12-8-6-5-7-11(12)9-10-13(14)15/h5-10,15H,3-4H2,1-2H3
InChIKeyDNWTYGUNARXRSP-UHFFFAOYSA-N
XLogP3.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

anthracen-9-yl(ethoxy)phosphinic acid
CID 102403899
2-diethoxyphosphorylnaphthalene-1-carboxamide
CID 162351368
3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one
CID 54680599
2-(2-diethoxyphosphorylnaphthalen-1-yl)benzoic acid
CID 102106648
anthracen-9-ylmethyl(ethoxy)phosphinic acid
CID 87175463
[1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate
CID 11432924
diethoxyphosphoryl(naphthalen-1-yl)methanone
CID 23002000
1-diethoxyphosphoryl-4-methylnaphthalene
CID 122695096
1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene
CID 122233213
2-[diethoxyphosphorylsulfanyl(naphthalen-1-yl)methyl]phenol
CID 171526607
(1-bromonaphthalen-2-yl)-diethoxyphosphorylmethanol
CID 86605950
1-diethoxyphosphoryl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline
CID 138979875

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphorylnaphthalen-2-ol?
The IUPAC name of 1-diethoxyphosphorylnaphthalen-2-ol (CID 15782261) is 1-diethoxyphosphorylnaphthalen-2-ol.
What is the SMILES notation for 1-diethoxyphosphorylnaphthalen-2-ol?
The canonical SMILES for 1-diethoxyphosphorylnaphthalen-2-ol is CCOP(=O)(OCC)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-diethoxyphosphorylnaphthalen-2-ol?
The InChIKey is DNWTYGUNARXRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17O4P/c1-3-17-19(16,18-4-2)14-12-8-6-5-7-11(12)9-10-13(14)15/h5-10,15H,3-4H2,1-2H3.
What are the key properties of 1-diethoxyphosphorylnaphthalen-2-ol?
1-diethoxyphosphorylnaphthalen-2-ol has a molecular weight of 280.26 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylnaphthalen-2-ol is sourced from PubChem (CID 15782261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).