(2,4-dibutylphenyl) dihydrogen phosphate

C14H23O4P — CID 20569368

IUPAC(2,4-dibutylphenyl) dihydrogen phosphate
SMILESCCCCc1ccc(OP(=O)(O)O)c(CCCC)c1
InChIInChI=1S/C14H23O4P/c1-3-5-7-12-9-10-14(18-19(15,16)17)13(11-12)8-6-4-2/h9-11H,3-8H2,1-2H3,(H2,15,16,17)
InChIKeyNQOLOKRMRGLSJU-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.84
Rot. Bonds8

About (2,4-dibutylphenyl) dihydrogen phosphate

(2,4-dibutylphenyl) dihydrogen phosphate (PubChem CID 20569368) has the molecular formula C14H23O4P and a molecular weight of 286.31 g/mol. Its IUPAC name is (2,4-dibutylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2,4-dibutylphenyl) dihydrogen phosphate
PubChem CID20569368
Molecular FormulaC14H23O4P
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Name(2,4-dibutylphenyl) dihydrogen phosphate
SMILESCCCCc1ccc(OP(=O)(O)O)c(CCCC)c1
InChIInChI=1S/C14H23O4P/c1-3-5-7-12-9-10-14(18-19(15,16)17)13(11-12)8-6-4-2/h9-11H,3-8H2,1-2H3,(H2,15,16,17)
InChIKeyNQOLOKRMRGLSJU-UHFFFAOYSA-N
XLogP3.84
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.84
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

sodium;[4-(2,4-dibutylphenyl)phenyl] dihydrogen phosphate;hydride
CID 174806306
bis(2,4-dibutylphenyl) benzene-1,4-dicarboxylate
CID 70631476
tris(2,4-dibutylphenyl) phosphite
CID 10974297
(2,4-dibutylphenyl) dihydrogen phosphite
CID 67509897
tris[2,4-bis(4-hydroxybutyl)phenyl] phosphate
CID 141231281
(2-nonadecylphenyl) dihydrogen phosphate
CID 122612109
(2-nonylphenyl) dihydrogen phosphate
CID 14048761
2-[(2,4-dibutylphenoxy)-(2,4-dibutylphenyl)methyl]-2-(hydroxymethyl)propane-1,3-diol;phosphono dihydrogen phosphate
CID 87113401
tris[2,4-bis(6-hydroxyhexyl)phenyl] phosphate
CID 141231282
(2,4-didecylphenoxy)boronic acid
CID 157267410
bis[2,4-di(nonyl)phenyl] carbonate
CID 141039917
sodium;hydride;(2-octylphenyl) dihydrogen phosphate
CID 173327470

Frequently Asked Questions

What is the IUPAC name of (2,4-dibutylphenyl) dihydrogen phosphate?
The IUPAC name of (2,4-dibutylphenyl) dihydrogen phosphate (CID 20569368) is (2,4-dibutylphenyl) dihydrogen phosphate.
What is the SMILES notation for (2,4-dibutylphenyl) dihydrogen phosphate?
The canonical SMILES for (2,4-dibutylphenyl) dihydrogen phosphate is CCCCc1ccc(OP(=O)(O)O)c(CCCC)c1.
What is the InChIKey of (2,4-dibutylphenyl) dihydrogen phosphate?
The InChIKey is NQOLOKRMRGLSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O4P/c1-3-5-7-12-9-10-14(18-19(15,16)17)13(11-12)8-6-4-2/h9-11H,3-8H2,1-2H3,(H2,15,16,17).
What are the key properties of (2,4-dibutylphenyl) dihydrogen phosphate?
(2,4-dibutylphenyl) dihydrogen phosphate has a molecular weight of 286.31 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibutylphenyl) dihydrogen phosphate is sourced from PubChem (CID 20569368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).