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

C23H35O8P — CID 122610959

IUPAC2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl pentyl hydrogen phosphate
SMILESCCCCCOP(=O)(O)OCCOCCOCCOCCOc1cccc2ccccc12
InChIInChI=1S/C23H35O8P/c1-2-3-6-12-30-32(24,25)31-20-18-28-16-14-26-13-15-27-17-19-29-23-11-7-9-21-8-4-5-10-22(21)23/h4-5,7-11H,2-3,6,12-20H2,1H3,(H,24,25)
InChIKeyLGPOQZXBWAYGPS-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.59
Rot. Bonds19

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

2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl pentyl hydrogen phosphate (PubChem CID 122610959) has the molecular formula C23H35O8P and a molecular weight of 470.50 g/mol. Its IUPAC name is 2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl pentyl hydrogen phosphate.

Molecular Properties

Compound Name2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl pentyl hydrogen phosphate
PubChem CID122610959
Molecular FormulaC23H35O8P
Molecular Weight470.50 g/mol
Exact Mass470.21
IUPAC Name2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl pentyl hydrogen phosphate
SMILESCCCCCOP(=O)(O)OCCOCCOCCOCCOc1cccc2ccccc12
InChIInChI=1S/C23H35O8P/c1-2-3-6-12-30-32(24,25)31-20-18-28-16-14-26-13-15-27-17-19-29-23-11-7-9-21-8-4-5-10-22(21)23/h4-5,7-11H,2-3,6,12-20H2,1H3,(H,24,25)
InChIKeyLGPOQZXBWAYGPS-UHFFFAOYSA-N
XLogP4.59
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate
CID 122612460
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
1-butoxynaphthalene
CID 13262700
[3-octoxy-2-[2-[2-(2-octoxyphenoxy)ethoxy]ethoxy]phenyl]methanol
CID 102217189
2-[2-(2-naphthalen-1-yloxyheptoxy)ethoxy]ethyl dihydrogen phosphate
CID 152717239
1-[2-(3-methoxypropoxy)ethoxy]naphthalene
CID 103184395
2-[2-(2-naphthalen-1-yloxyheptadecoxy)ethoxy]ethyl dihydrogen phosphate
CID 151025553
3-methylbuta-1,2-diene;1-pentoxynaphthalene
CID 174706158
bis(2-decoxyethyl) hydrogen phosphate
CID 13261719
bis(2-octadecoxyethyl) hydrogen phosphate
CID 57299614
2-naphthalen-1-yloxyethyl octadecanoate
CID 154105287

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl pentyl hydrogen phosphate?
The IUPAC name of 2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl pentyl hydrogen phosphate (CID 122610959) is 2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl pentyl hydrogen phosphate.
What is the SMILES notation for 2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl pentyl hydrogen phosphate?
The canonical SMILES for 2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl pentyl hydrogen phosphate is CCCCCOP(=O)(O)OCCOCCOCCOCCOc1cccc2ccccc12.
What is the InChIKey of 2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl pentyl hydrogen phosphate?
The InChIKey is LGPOQZXBWAYGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35O8P/c1-2-3-6-12-30-32(24,25)31-20-18-28-16-14-26-13-15-27-17-19-29-23-11-7-9-21-8-4-5-10-22(21)23/h4-5,7-11H,2-3,6,12-20H2,1H3,(H,24,25).
What are the key properties of 2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl pentyl hydrogen phosphate?
2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl pentyl hydrogen phosphate has a molecular weight of 470.50 g/mol, XLogP of 4.59, 19 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl pentyl hydrogen phosphate is sourced from PubChem (CID 122610959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).