(2-nonylphenyl) bis(2-octylphenyl) phosphate

C43H65O4P — CID 71349653

IUPAC(2-nonylphenyl) bis(2-octylphenyl) phosphate
SMILESCCCCCCCCCc1ccccc1OP(=O)(Oc1ccccc1CCCCCCCC)Oc1ccccc1CCCCCCCC
InChIInChI=1S/C43H65O4P/c1-4-7-10-13-16-19-22-31-40-34-25-28-37-43(40)47-48(44,45-41-35-26-23-32-38(41)29-20-17-14-11-8-5-2)46-42-36-27-24-33-39(42)30-21-18-15-12-9-6-3/h23-28,32-37H,4-22,29-31H2,1-3H3
InChIKeySRQJDCOSAWBNAN-UHFFFAOYSA-N
MW676.96 g/mol
LogP14.43
Rot. Bonds28

About (2-nonylphenyl) bis(2-octylphenyl) phosphate

(2-nonylphenyl) bis(2-octylphenyl) phosphate (PubChem CID 71349653) has the molecular formula C43H65O4P and a molecular weight of 676.96 g/mol. Its IUPAC name is (2-nonylphenyl) bis(2-octylphenyl) phosphate.

Molecular Properties

Compound Name(2-nonylphenyl) bis(2-octylphenyl) phosphate
PubChem CID71349653
Molecular FormulaC43H65O4P
Molecular Weight676.96 g/mol
Exact Mass676.46
IUPAC Name(2-nonylphenyl) bis(2-octylphenyl) phosphate
SMILESCCCCCCCCCc1ccccc1OP(=O)(Oc1ccccc1CCCCCCCC)Oc1ccccc1CCCCCCCC
InChIInChI=1S/C43H65O4P/c1-4-7-10-13-16-19-22-31-40-34-25-28-37-43(40)47-48(44,45-41-35-26-23-32-38(41)29-20-17-14-11-8-5-2)46-42-36-27-24-33-39(42)30-21-18-15-12-9-6-3/h23-28,32-37H,4-22,29-31H2,1-3H3
InChIKeySRQJDCOSAWBNAN-UHFFFAOYSA-N
XLogP14.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.96
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-hexylphenyl) hydrogen phosphate
CID 14671068
(2-nonadecylphenyl) dihydrogen phosphate
CID 122612109
(2-nonylphenyl) dihydrogen phosphate
CID 14048761
lithium (2-octylphenyl) phosphate
CID 21408120
bis(2-heptylphenyl) phosphate;zinc
CID 140565321
dialuminum;tris((2-nonylphenyl) phosphate)
CID 173352283
sodium;hydride;(2-octylphenyl) dihydrogen phosphate
CID 173327470
ethoxyethane;(2-octylphenyl) dihydrogen phosphate
CID 66830836
(2-butylphenyl) octyl phenyl phosphate
CID 70581057
hexakis(bis(2-nonylphenoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum
CID 23071486
1-methoxy-2-tetradecylbenzene
CID 69169530
bis(bis(2-butylphenyl) phosphate);nickel(2+)
CID 88827321

Frequently Asked Questions

What is the IUPAC name of (2-nonylphenyl) bis(2-octylphenyl) phosphate?
The IUPAC name of (2-nonylphenyl) bis(2-octylphenyl) phosphate (CID 71349653) is (2-nonylphenyl) bis(2-octylphenyl) phosphate.
What is the SMILES notation for (2-nonylphenyl) bis(2-octylphenyl) phosphate?
The canonical SMILES for (2-nonylphenyl) bis(2-octylphenyl) phosphate is CCCCCCCCCc1ccccc1OP(=O)(Oc1ccccc1CCCCCCCC)Oc1ccccc1CCCCCCCC.
What is the InChIKey of (2-nonylphenyl) bis(2-octylphenyl) phosphate?
The InChIKey is SRQJDCOSAWBNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H65O4P/c1-4-7-10-13-16-19-22-31-40-34-25-28-37-43(40)47-48(44,45-41-35-26-23-32-38(41)29-20-17-14-11-8-5-2)46-42-36-27-24-33-39(42)30-21-18-15-12-9-6-3/h23-28,32-37H,4-22,29-31H2,1-3H3.
What are the key properties of (2-nonylphenyl) bis(2-octylphenyl) phosphate?
(2-nonylphenyl) bis(2-octylphenyl) phosphate has a molecular weight of 676.96 g/mol, XLogP of 14.43, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nonylphenyl) bis(2-octylphenyl) phosphate is sourced from PubChem (CID 71349653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).