2-(2-ethoxyethoxy)ethyl-naphthalen-1-yloxyphosphinic acid

C16H21O5P — CID 174803088

IUPAC2-(2-ethoxyethoxy)ethyl-naphthalen-1-yloxyphosphinic acid
SMILESCCOCCOCCP(=O)(O)Oc1cccc2ccccc12
InChIInChI=1S/C16H21O5P/c1-2-19-10-11-20-12-13-22(17,18)21-16-9-5-7-14-6-3-4-8-15(14)16/h3-9H,2,10-13H2,1H3,(H,17,18)
InChIKeyNVWVIONFBQZASD-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.46
Rot. Bonds9

About 2-(2-ethoxyethoxy)ethyl-naphthalen-1-yloxyphosphinic acid

2-(2-ethoxyethoxy)ethyl-naphthalen-1-yloxyphosphinic acid (PubChem CID 174803088) has the molecular formula C16H21O5P and a molecular weight of 324.31 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl-naphthalen-1-yloxyphosphinic acid.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl-naphthalen-1-yloxyphosphinic acid
PubChem CID174803088
Molecular FormulaC16H21O5P
Molecular Weight324.31 g/mol
Exact Mass324.11
IUPAC Name2-(2-ethoxyethoxy)ethyl-naphthalen-1-yloxyphosphinic acid
SMILESCCOCCOCCP(=O)(O)Oc1cccc2ccccc12
InChIInChI=1S/C16H21O5P/c1-2-19-10-11-20-12-13-22(17,18)21-16-9-5-7-14-6-3-4-8-15(14)16/h3-9H,2,10-13H2,1H3,(H,17,18)
InChIKeyNVWVIONFBQZASD-UHFFFAOYSA-N
XLogP3.46
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate
CID 122611590
2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate
CID 122611702
2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl pentyl hydrogen phosphate
CID 122610959
2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate
CID 122612460
(2-methoxyphenoxy)-(2-phenylmethoxyethyl)phosphinic acid
CID 139679848
sodium naphthalen-1-yl phosphate
CID 22991747
[hydroxy(naphthalen-1-yloxy)phosphoryl] formate
CID 67570808
1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene
CID 174802997
dicesium;naphthalen-1-yl phosphate
CID 139842203
silver naphthalen-1-yl phosphate
CID 23471186
1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one
CID 23002016
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]naphthalene
CID 2283150

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl-naphthalen-1-yloxyphosphinic acid?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl-naphthalen-1-yloxyphosphinic acid (CID 174803088) is 2-(2-ethoxyethoxy)ethyl-naphthalen-1-yloxyphosphinic acid.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl-naphthalen-1-yloxyphosphinic acid?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl-naphthalen-1-yloxyphosphinic acid is CCOCCOCCP(=O)(O)Oc1cccc2ccccc12.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl-naphthalen-1-yloxyphosphinic acid?
The InChIKey is NVWVIONFBQZASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21O5P/c1-2-19-10-11-20-12-13-22(17,18)21-16-9-5-7-14-6-3-4-8-15(14)16/h3-9H,2,10-13H2,1H3,(H,17,18).
What are the key properties of 2-(2-ethoxyethoxy)ethyl-naphthalen-1-yloxyphosphinic acid?
2-(2-ethoxyethoxy)ethyl-naphthalen-1-yloxyphosphinic acid has a molecular weight of 324.31 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl-naphthalen-1-yloxyphosphinic acid is sourced from PubChem (CID 174803088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).