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

C21H31O7P — CID 152717239

IUPAC2-[2-(2-naphthalen-1-yloxyheptoxy)ethoxy]ethyl dihydrogen phosphate
SMILESCCCCCC(COCCOCCOP(=O)(O)O)Oc1cccc2ccccc12
InChIInChI=1S/C21H31O7P/c1-2-3-4-10-19(17-26-14-13-25-15-16-27-29(22,23)24)28-21-12-7-9-18-8-5-6-11-20(18)21/h5-9,11-12,19H,2-4,10,13-17H2,1H3,(H2,22,23,24)
InChIKeyZUWAYIGFNZSUQP-UHFFFAOYSA-N
MW426.45 g/mol
LogP4.31
Rot. Bonds15

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

2-[2-(2-naphthalen-1-yloxyheptoxy)ethoxy]ethyl dihydrogen phosphate (PubChem CID 152717239) has the molecular formula C21H31O7P and a molecular weight of 426.45 g/mol. Its IUPAC name is 2-[2-(2-naphthalen-1-yloxyheptoxy)ethoxy]ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-[2-(2-naphthalen-1-yloxyheptoxy)ethoxy]ethyl dihydrogen phosphate
PubChem CID152717239
Molecular FormulaC21H31O7P
Molecular Weight426.45 g/mol
Exact Mass426.18
IUPAC Name2-[2-(2-naphthalen-1-yloxyheptoxy)ethoxy]ethyl dihydrogen phosphate
SMILESCCCCCC(COCCOCCOP(=O)(O)O)Oc1cccc2ccccc12
InChIInChI=1S/C21H31O7P/c1-2-3-4-10-19(17-26-14-13-25-15-16-27-29(22,23)24)28-21-12-7-9-18-8-5-6-11-20(18)21/h5-9,11-12,19H,2-4,10,13-17H2,1H3,(H2,22,23,24)
InChIKeyZUWAYIGFNZSUQP-UHFFFAOYSA-N
XLogP4.31
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-naphthalen-1-yloxyheptadecoxy)ethoxy]ethyl dihydrogen phosphate
CID 151025553
2-naphthalen-1-yloxytetradecyl dihydrogen phosphate
CID 158283775
2-naphthalen-1-yloxynonadecyl dihydrogen phosphate
CID 150700579
2-(2-naphthalen-1-ylperoxytridecoxy)ethyl dihydrogen phosphate
CID 172825589
2-[2-(2-phenoxyicosoxy)ethoxy]ethyl dihydrogen phosphate
CID 151774645
2-[2-(2-phenoxyheptadecoxy)ethoxy]ethyl dihydrogen phosphate
CID 150437630
2-[2-(2-phenoxydodecoxy)ethoxy]ethyl dihydrogen phosphate
CID 150186674
2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate
CID 122611590
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
bis(2-phenoxyundecyl) phosphono phosphate
CID 139670579
1-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]octadecan-2-yl dihydrogen phosphate
CID 122613122

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-naphthalen-1-yloxyheptoxy)ethoxy]ethyl dihydrogen phosphate?
The IUPAC name of 2-[2-(2-naphthalen-1-yloxyheptoxy)ethoxy]ethyl dihydrogen phosphate (CID 152717239) is 2-[2-(2-naphthalen-1-yloxyheptoxy)ethoxy]ethyl dihydrogen phosphate.
What is the SMILES notation for 2-[2-(2-naphthalen-1-yloxyheptoxy)ethoxy]ethyl dihydrogen phosphate?
The canonical SMILES for 2-[2-(2-naphthalen-1-yloxyheptoxy)ethoxy]ethyl dihydrogen phosphate is CCCCCC(COCCOCCOP(=O)(O)O)Oc1cccc2ccccc12.
What is the InChIKey of 2-[2-(2-naphthalen-1-yloxyheptoxy)ethoxy]ethyl dihydrogen phosphate?
The InChIKey is ZUWAYIGFNZSUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31O7P/c1-2-3-4-10-19(17-26-14-13-25-15-16-27-29(22,23)24)28-21-12-7-9-18-8-5-6-11-20(18)21/h5-9,11-12,19H,2-4,10,13-17H2,1H3,(H2,22,23,24).
What are the key properties of 2-[2-(2-naphthalen-1-yloxyheptoxy)ethoxy]ethyl dihydrogen phosphate?
2-[2-(2-naphthalen-1-yloxyheptoxy)ethoxy]ethyl dihydrogen phosphate has a molecular weight of 426.45 g/mol, XLogP of 4.31, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-naphthalen-1-yloxyheptoxy)ethoxy]ethyl dihydrogen phosphate is sourced from PubChem (CID 152717239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).