2-naphthalen-1-yloxytetradecyl dihydrogen phosphate

C24H37O5P — CID 158283775

IUPAC2-naphthalen-1-yloxytetradecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCC(COP(=O)(O)O)Oc1cccc2ccccc12
InChIInChI=1S/C24H37O5P/c1-2-3-4-5-6-7-8-9-10-11-17-22(20-28-30(25,26)27)29-24-19-14-16-21-15-12-13-18-23(21)24/h12-16,18-19,22H,2-11,17,20H2,1H3,(H2,25,26,27)
InChIKeyGKNDPBMAHKNQBH-UHFFFAOYSA-N
MW436.53 g/mol
LogP7.01
Rot. Bonds16

About 2-naphthalen-1-yloxytetradecyl dihydrogen phosphate

2-naphthalen-1-yloxytetradecyl dihydrogen phosphate (PubChem CID 158283775) has the molecular formula C24H37O5P and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-naphthalen-1-yloxytetradecyl dihydrogen phosphate.

Molecular Properties

Compound Name2-naphthalen-1-yloxytetradecyl dihydrogen phosphate
PubChem CID158283775
Molecular FormulaC24H37O5P
Molecular Weight436.53 g/mol
Exact Mass436.24
IUPAC Name2-naphthalen-1-yloxytetradecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCC(COP(=O)(O)O)Oc1cccc2ccccc12
InChIInChI=1S/C24H37O5P/c1-2-3-4-5-6-7-8-9-10-11-17-22(20-28-30(25,26)27)29-24-19-14-16-21-15-12-13-18-23(21)24/h12-16,18-19,22H,2-11,17,20H2,1H3,(H2,25,26,27)
InChIKeyGKNDPBMAHKNQBH-UHFFFAOYSA-N
XLogP7.01
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.53
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxytetradecyl dihydrogen phosphate?
The IUPAC name of 2-naphthalen-1-yloxytetradecyl dihydrogen phosphate (CID 158283775) is 2-naphthalen-1-yloxytetradecyl dihydrogen phosphate.
What is the SMILES notation for 2-naphthalen-1-yloxytetradecyl dihydrogen phosphate?
The canonical SMILES for 2-naphthalen-1-yloxytetradecyl dihydrogen phosphate is CCCCCCCCCCCCC(COP(=O)(O)O)Oc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yloxytetradecyl dihydrogen phosphate?
The InChIKey is GKNDPBMAHKNQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37O5P/c1-2-3-4-5-6-7-8-9-10-11-17-22(20-28-30(25,26)27)29-24-19-14-16-21-15-12-13-18-23(21)24/h12-16,18-19,22H,2-11,17,20H2,1H3,(H2,25,26,27).
What are the key properties of 2-naphthalen-1-yloxytetradecyl dihydrogen phosphate?
2-naphthalen-1-yloxytetradecyl dihydrogen phosphate has a molecular weight of 436.53 g/mol, XLogP of 7.01, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxytetradecyl dihydrogen phosphate is sourced from PubChem (CID 158283775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).