sodium;[4-(2,4-dibutylphenyl)phenyl] dihydrogen phosphate;hydride

C20H28NaO4P — CID 174806306

IUPACsodium;[4-(2,4-dibutylphenyl)phenyl] dihydrogen phosphate;hydride
SMILESCCCCc1ccc(-c2ccc(OP(=O)(O)O)cc2)c(CCCC)c1.[H-].[Na+]
InChIInChI=1S/C20H27O4P.Na.H/c1-3-5-7-16-9-14-20(18(15-16)8-6-4-2)17-10-12-19(13-11-17)24-25(21,22)23;;/h9-15H,3-8H2,1-2H3,(H2,21,22,23);;/q;+1;-1
InChIKeyUVHNJKRLSNKDPD-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.63
Rot. Bonds9

About sodium;[4-(2,4-dibutylphenyl)phenyl] dihydrogen phosphate;hydride

sodium;[4-(2,4-dibutylphenyl)phenyl] dihydrogen phosphate;hydride (PubChem CID 174806306) has the molecular formula C20H28NaO4P and a molecular weight of 386.40 g/mol. Its IUPAC name is sodium;[4-(2,4-dibutylphenyl)phenyl] dihydrogen phosphate;hydride.

Molecular Properties

Compound Namesodium;[4-(2,4-dibutylphenyl)phenyl] dihydrogen phosphate;hydride
PubChem CID174806306
Molecular FormulaC20H28NaO4P
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Namesodium;[4-(2,4-dibutylphenyl)phenyl] dihydrogen phosphate;hydride
SMILESCCCCc1ccc(-c2ccc(OP(=O)(O)O)cc2)c(CCCC)c1.[H-].[Na+]
InChIInChI=1S/C20H27O4P.Na.H/c1-3-5-7-16-9-14-20(18(15-16)8-6-4-2)17-10-12-19(13-11-17)24-25(21,22)23;;/h9-15H,3-8H2,1-2H3,(H2,21,22,23);;/q;+1;-1
InChIKeyUVHNJKRLSNKDPD-UHFFFAOYSA-N
XLogP2.63
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.63
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-dibutylphenyl) dihydrogen phosphate
CID 20569368
(4-tridecylphenyl) dihydrogen phosphate
CID 151425347
[(4-butylphenoxy)-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 87759641
1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene
CID 158517315
1-butyl-4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]-2-propylbenzene
CID 123979323
3-[4-[4-[(4-butylphenyl)methoxy]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol
CID 118150653
[4-(4-butylphenyl)phenyl]-phenoxyphosphinic acid
CID 141245968
CID 87276783
CID 87276783
2-[4-[2-ethyl-4-(4-hexylphenyl)phenyl]phenoxy]ethanol
CID 163793056
2-[(2,4-dibutylphenoxy)-(2,4-dibutylphenyl)methyl]-2-(hydroxymethyl)propane-1,3-diol;phosphono dihydrogen phosphate
CID 87113401
(3-propylphenyl) dihydrogen phosphate
CID 139845836
(4-dodecylphenyl) methyl hydrogen phosphate
CID 57162479

Frequently Asked Questions

What is the IUPAC name of sodium;[4-(2,4-dibutylphenyl)phenyl] dihydrogen phosphate;hydride?
The IUPAC name of sodium;[4-(2,4-dibutylphenyl)phenyl] dihydrogen phosphate;hydride (CID 174806306) is sodium;[4-(2,4-dibutylphenyl)phenyl] dihydrogen phosphate;hydride.
What is the SMILES notation for sodium;[4-(2,4-dibutylphenyl)phenyl] dihydrogen phosphate;hydride?
The canonical SMILES for sodium;[4-(2,4-dibutylphenyl)phenyl] dihydrogen phosphate;hydride is CCCCc1ccc(-c2ccc(OP(=O)(O)O)cc2)c(CCCC)c1.[H-].[Na+].
What is the InChIKey of sodium;[4-(2,4-dibutylphenyl)phenyl] dihydrogen phosphate;hydride?
The InChIKey is UVHNJKRLSNKDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27O4P.Na.H/c1-3-5-7-16-9-14-20(18(15-16)8-6-4-2)17-10-12-19(13-11-17)24-25(21,22)23;;/h9-15H,3-8H2,1-2H3,(H2,21,22,23);;/q;+1;-1.
What are the key properties of sodium;[4-(2,4-dibutylphenyl)phenyl] dihydrogen phosphate;hydride?
sodium;[4-(2,4-dibutylphenyl)phenyl] dihydrogen phosphate;hydride has a molecular weight of 386.40 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[4-(2,4-dibutylphenyl)phenyl] dihydrogen phosphate;hydride is sourced from PubChem (CID 174806306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).