2-ethylhexyl diphenyl phosphate

C20H27O4P — CID 14716

IUPAC2-ethylhexyl diphenyl phosphate
SMILESCCCCC(CC)COP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
InChIKeyCGSLYBDCEGBZCG-UHFFFAOYSA-N
MW362.41 g/mol
LogP6.49
Rot. Bonds11

About 2-ethylhexyl diphenyl phosphate

2-ethylhexyl diphenyl phosphate (PubChem CID 14716) has the molecular formula C20H27O4P and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-ethylhexyl diphenyl phosphate.

Molecular Properties

Compound Name2-ethylhexyl diphenyl phosphate
PubChem CID14716
Molecular FormulaC20H27O4P
Molecular Weight362.41 g/mol
Exact Mass362.16
IUPAC Name2-ethylhexyl diphenyl phosphate
SMILESCCCCC(CC)COP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
InChIKeyCGSLYBDCEGBZCG-UHFFFAOYSA-N
XLogP6.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.41
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Triphenyl Phosphate
CID 8289
Diphenyl cresyl phosphate
CID 520263
o-Cresyl phosphate
CID 6527
Fosfestrol
CID 3032325
Tri-m-cresyl phosphate
CID 11232
Monocresyl diphenyl phosphate
CID 6528
Tri-p-cresyl phosphate
CID 6529
Isodecyl diphenyl phosphate
CID 34697
Bis(isopropylphenyl) phenyl phosphate
CID 34149
Dibutyl phenyl phosphate
CID 17312
Isopropylphenyl diphenyl phosphate
CID 34148
Phosphoric acid, diphenyl ester
CID 13282

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl diphenyl phosphate?
The IUPAC name of 2-ethylhexyl diphenyl phosphate (CID 14716) is 2-ethylhexyl diphenyl phosphate.
What is the SMILES notation for 2-ethylhexyl diphenyl phosphate?
The canonical SMILES for 2-ethylhexyl diphenyl phosphate is CCCCC(CC)COP(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2-ethylhexyl diphenyl phosphate?
The InChIKey is CGSLYBDCEGBZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3.
What are the key properties of 2-ethylhexyl diphenyl phosphate?
2-ethylhexyl diphenyl phosphate has a molecular weight of 362.41 g/mol, XLogP of 6.49, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl diphenyl phosphate is sourced from PubChem (CID 14716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).