bis(2-hexylphenyl) hydrogen phosphate

C24H35O4P — CID 14671068

IUPACbis(2-hexylphenyl) hydrogen phosphate
SMILESCCCCCCc1ccccc1OP(=O)(O)Oc1ccccc1CCCCCC
InChIInChI=1S/C24H35O4P/c1-3-5-7-9-15-21-17-11-13-19-23(21)27-29(25,26)28-24-20-14-12-18-22(24)16-10-8-6-4-2/h11-14,17-20H,3-10,15-16H2,1-2H3,(H,25,26)
InChIKeyPPFVOYWPNHWOQZ-UHFFFAOYSA-N
MW418.51 g/mol
LogP7.49
Rot. Bonds14

About bis(2-hexylphenyl) hydrogen phosphate

bis(2-hexylphenyl) hydrogen phosphate (PubChem CID 14671068) has the molecular formula C24H35O4P and a molecular weight of 418.51 g/mol. Its IUPAC name is bis(2-hexylphenyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(2-hexylphenyl) hydrogen phosphate
PubChem CID14671068
Molecular FormulaC24H35O4P
Molecular Weight418.51 g/mol
Exact Mass418.23
IUPAC Namebis(2-hexylphenyl) hydrogen phosphate
SMILESCCCCCCc1ccccc1OP(=O)(O)Oc1ccccc1CCCCCC
InChIInChI=1S/C24H35O4P/c1-3-5-7-9-15-21-17-11-13-19-23(21)27-29(25,26)28-24-20-14-12-18-22(24)16-10-8-6-4-2/h11-14,17-20H,3-10,15-16H2,1-2H3,(H,25,26)
InChIKeyPPFVOYWPNHWOQZ-UHFFFAOYSA-N
XLogP7.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.51
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(2-hexylphenyl) hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-nonadecylphenyl) dihydrogen phosphate
CID 122612109
(2-nonylphenyl) dihydrogen phosphate
CID 14048761
sodium;hydride;(2-octylphenyl) dihydrogen phosphate
CID 173327470
(2-nonylphenyl) bis(2-octylphenyl) phosphate
CID 71349653
ethoxyethane;(2-octylphenyl) dihydrogen phosphate
CID 66830836
(3-chloro-2-hydroxypropyl) (2-nonylphenyl) hydrogen phosphate
CID 57280094
dialuminum;tris((2-nonylphenyl) phosphate)
CID 173352283
lithium (2-octylphenyl) phosphate
CID 21408120
bis(2-heptylphenyl) phosphate;zinc
CID 140565321
hydroxy-(2-nonylphenoxy)-oxosilane
CID 67915956
1-(2-icosylphenoxy)ethyl dihydrogen phosphate
CID 122612545
hexakis(bis(2-nonylphenoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum
CID 23071486

Frequently Asked Questions

What is the IUPAC name of bis(2-hexylphenyl) hydrogen phosphate?
The IUPAC name of bis(2-hexylphenyl) hydrogen phosphate (CID 14671068) is bis(2-hexylphenyl) hydrogen phosphate.
What is the SMILES notation for bis(2-hexylphenyl) hydrogen phosphate?
The canonical SMILES for bis(2-hexylphenyl) hydrogen phosphate is CCCCCCc1ccccc1OP(=O)(O)Oc1ccccc1CCCCCC.
What is the InChIKey of bis(2-hexylphenyl) hydrogen phosphate?
The InChIKey is PPFVOYWPNHWOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35O4P/c1-3-5-7-9-15-21-17-11-13-19-23(21)27-29(25,26)28-24-20-14-12-18-22(24)16-10-8-6-4-2/h11-14,17-20H,3-10,15-16H2,1-2H3,(H,25,26).
What are the key properties of bis(2-hexylphenyl) hydrogen phosphate?
bis(2-hexylphenyl) hydrogen phosphate has a molecular weight of 418.51 g/mol, XLogP of 7.49, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hexylphenyl) hydrogen phosphate is sourced from PubChem (CID 14671068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).