2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate

C32H53O6P — CID 122612460

IUPAC2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate
SMILESCCCCCCCCCCCCCCCCCCOP(=O)(O)OCCOCCOc1cccc2ccccc12
InChIInChI=1S/C32H53O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-37-39(33,34)38-29-27-35-26-28-36-32-24-20-22-30-21-17-18-23-31(30)32/h17-18,20-24H,2-16,19,25-29H2,1H3,(H,33,34)
InChIKeyJFHDLWGJRMFCBH-UHFFFAOYSA-N
MW564.74 g/mol
LogP9.63
Rot. Bonds26

About 2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate

2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate (PubChem CID 122612460) has the molecular formula C32H53O6P and a molecular weight of 564.74 g/mol. Its IUPAC name is 2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate.

Molecular Properties

Compound Name2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate
PubChem CID122612460
Molecular FormulaC32H53O6P
Molecular Weight564.74 g/mol
Exact Mass564.36
IUPAC Name2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate
SMILESCCCCCCCCCCCCCCCCCCOP(=O)(O)OCCOCCOc1cccc2ccccc12
InChIInChI=1S/C32H53O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-37-39(33,34)38-29-27-35-26-28-36-32-24-20-22-30-21-17-18-23-31(30)32/h17-18,20-24H,2-16,19,25-29H2,1H3,(H,33,34)
InChIKeyJFHDLWGJRMFCBH-UHFFFAOYSA-N
XLogP9.63
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.74
LogP ≤ 59.63
H-Bond Donors ≤ 51
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-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl pentyl hydrogen phosphate
CID 122610959
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
[3-octoxy-2-[2-[2-(2-octoxyphenoxy)ethoxy]ethoxy]phenyl]methanol
CID 102217189
2-[2-(2-naphthalen-1-yloxyheptadecoxy)ethoxy]ethyl dihydrogen phosphate
CID 151025553
bis(2-decoxyethyl) hydrogen phosphate
CID 13261719
bis(2-octadecoxyethyl) hydrogen phosphate
CID 57299614
1-butoxynaphthalene
CID 13262700
2-[2-(2-naphthalen-1-yloxyheptoxy)ethoxy]ethyl dihydrogen phosphate
CID 152717239
2-naphthalen-1-yloxyethyl octadecanoate
CID 154105287
hexyl (2-hydroxyphenyl) hydrogen phosphate
CID 10978666
1,2,3-tridodecoxybenzene
CID 11308140

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate?
The IUPAC name of 2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate (CID 122612460) is 2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate.
What is the SMILES notation for 2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate?
The canonical SMILES for 2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate is CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCOCCOc1cccc2ccccc12.
What is the InChIKey of 2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate?
The InChIKey is JFHDLWGJRMFCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H53O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-37-39(33,34)38-29-27-35-26-28-36-32-24-20-22-30-21-17-18-23-31(30)32/h17-18,20-24H,2-16,19,25-29H2,1H3,(H,33,34).
What are the key properties of 2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate?
2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate has a molecular weight of 564.74 g/mol, XLogP of 9.63, 26 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate is sourced from PubChem (CID 122612460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).