2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate

C18H25O8P — CID 122611590

IUPAC2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCCOCCOCCOCCOc1cccc2ccccc12
InChIInChI=1S/C18H25O8P/c19-27(20,21)26-15-13-24-11-9-22-8-10-23-12-14-25-18-7-3-5-16-4-1-2-6-17(16)18/h1-7H,8-15H2,(H2,19,20,21)
InChIKeyPSSBRMQUXHUNPL-UHFFFAOYSA-N
MW400.36 g/mol
LogP2.38
Rot. Bonds14

About 2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate

2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate (PubChem CID 122611590) has the molecular formula C18H25O8P and a molecular weight of 400.36 g/mol. Its IUPAC name is 2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate
PubChem CID122611590
Molecular FormulaC18H25O8P
Molecular Weight400.36 g/mol
Exact Mass400.13
IUPAC Name2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCCOCCOCCOCCOc1cccc2ccccc12
InChIInChI=1S/C18H25O8P/c19-27(20,21)26-15-13-24-11-9-22-8-10-23-12-14-25-18-7-3-5-16-4-1-2-6-17(16)18/h1-7H,8-15H2,(H2,19,20,21)
InChIKeyPSSBRMQUXHUNPL-UHFFFAOYSA-N
XLogP2.38
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 pentyl hydrogen phosphate
CID 122610959
2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate
CID 122612460
1-[2-(3-methoxypropoxy)ethoxy]naphthalene
CID 103184395
2-[2-(2-naphthalen-1-yloxyheptoxy)ethoxy]ethyl dihydrogen phosphate
CID 152717239
2-[2-(2-naphthalen-1-yloxyheptadecoxy)ethoxy]ethyl dihydrogen phosphate
CID 151025553
bis(2-naphthalen-1-yloxyethyl) carbonate
CID 57035339
N-methyl-2-(2-naphthalen-1-yloxyethoxy)ethanamine
CID 82085820
2-(2-naphthalen-1-ylperoxytridecoxy)ethyl dihydrogen phosphate
CID 172825589
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]naphthalene
CID 2283150
2-naphthalen-1-yloxyethyl acetate
CID 23049663
(3R,5R)-3,5-dimethyl-1-[2-(2-naphthalen-1-yloxyethoxy)ethyl]piperidin-1-ium
CID 7411201
2-(2-ethoxyethoxy)ethyl-naphthalen-1-yloxyphosphinic acid
CID 174803088

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate?
The IUPAC name of 2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate (CID 122611590) is 2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate.
What is the SMILES notation for 2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate?
The canonical SMILES for 2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate is O=P(O)(O)OCCOCCOCCOCCOc1cccc2ccccc12.
What is the InChIKey of 2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate?
The InChIKey is PSSBRMQUXHUNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25O8P/c19-27(20,21)26-15-13-24-11-9-22-8-10-23-12-14-25-18-7-3-5-16-4-1-2-6-17(16)18/h1-7H,8-15H2,(H2,19,20,21).
What are the key properties of 2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate?
2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate has a molecular weight of 400.36 g/mol, XLogP of 2.38, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate is sourced from PubChem (CID 122611590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).