(3,6-ditert-butylnaphthalen-2-yl) dihydrogen phosphate

C18H25O4P — CID 162260260

IUPAC(3,6-ditert-butylnaphthalen-2-yl) dihydrogen phosphate
SMILESCC(C)(C)c1ccc2cc(OP(=O)(O)O)c(C(C)(C)C)cc2c1
InChIInChI=1S/C18H25O4P/c1-17(2,3)14-8-7-12-11-16(22-23(19,20)21)15(18(4,5)6)10-13(12)9-14/h7-11H,1-6H3,(H2,19,20,21)
InChIKeyZZDRJYVIUNWUHN-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.91
Rot. Bonds2

About (3,6-ditert-butylnaphthalen-2-yl) dihydrogen phosphate

(3,6-ditert-butylnaphthalen-2-yl) dihydrogen phosphate (PubChem CID 162260260) has the molecular formula C18H25O4P and a molecular weight of 336.37 g/mol. Its IUPAC name is (3,6-ditert-butylnaphthalen-2-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(3,6-ditert-butylnaphthalen-2-yl) dihydrogen phosphate
PubChem CID162260260
Molecular FormulaC18H25O4P
Molecular Weight336.37 g/mol
Exact Mass336.15
IUPAC Name(3,6-ditert-butylnaphthalen-2-yl) dihydrogen phosphate
SMILESCC(C)(C)c1ccc2cc(OP(=O)(O)O)c(C(C)(C)C)cc2c1
InChIInChI=1S/C18H25O4P/c1-17(2,3)14-8-7-12-11-16(22-23(19,20)21)15(18(4,5)6)10-13(12)9-14/h7-11H,1-6H3,(H2,19,20,21)
InChIKeyZZDRJYVIUNWUHN-UHFFFAOYSA-N
XLogP4.91
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4-ditert-butylphenyl) dihydrogen phosphate;hydrate
CID 172684723
(2,4-ditert-butylphenyl) dihydrogen phosphate;(2,4-ditert-butylphenyl) dihydrogen phosphite
CID 159327100
bis(3,6-ditert-butylnaphthalen-2-yl) (2,4-ditert-butylphenyl) phosphite
CID 23002702
(2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite
CID 23002710
2,6-ditert-butylanthracene
CID 15740416
bis(3,6-ditert-butylnaphthalen-2-yl) [4-(trifluoromethyl)phenyl] phosphite
CID 19087200
(2,4,6-tritert-butylphenyl) dihydrogen phosphate
CID 66794028
(3,6-ditert-butylnaphthalen-2-yl)oxy-[4-(3,6-ditert-butylnaphthalen-2-yl)oxyphosphanyloxypentan-2-yloxy]phosphane
CID 20688088
[2-tert-butyl-4-(2-methylbut-3-en-2-yl)phenyl] (2,4-ditert-butylphenyl) hydrogen phosphate
CID 141015068
bis(2,4-ditert-butylphenyl) phenyl phosphate;(2,4-ditert-butylphenyl) diphenyl phosphate
CID 158310667
bis(2,4-ditert-butylphenyl) sulfanyl phosphate
CID 173040283
(3,6-ditert-butylnaphthalen-2-yl) (2-naphthalen-2-ylphenyl) hydrogen phosphite
CID 19087237

Frequently Asked Questions

What is the IUPAC name of (3,6-ditert-butylnaphthalen-2-yl) dihydrogen phosphate?
The IUPAC name of (3,6-ditert-butylnaphthalen-2-yl) dihydrogen phosphate (CID 162260260) is (3,6-ditert-butylnaphthalen-2-yl) dihydrogen phosphate.
What is the SMILES notation for (3,6-ditert-butylnaphthalen-2-yl) dihydrogen phosphate?
The canonical SMILES for (3,6-ditert-butylnaphthalen-2-yl) dihydrogen phosphate is CC(C)(C)c1ccc2cc(OP(=O)(O)O)c(C(C)(C)C)cc2c1.
What is the InChIKey of (3,6-ditert-butylnaphthalen-2-yl) dihydrogen phosphate?
The InChIKey is ZZDRJYVIUNWUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25O4P/c1-17(2,3)14-8-7-12-11-16(22-23(19,20)21)15(18(4,5)6)10-13(12)9-14/h7-11H,1-6H3,(H2,19,20,21).
What are the key properties of (3,6-ditert-butylnaphthalen-2-yl) dihydrogen phosphate?
(3,6-ditert-butylnaphthalen-2-yl) dihydrogen phosphate has a molecular weight of 336.37 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-ditert-butylnaphthalen-2-yl) dihydrogen phosphate is sourced from PubChem (CID 162260260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).