(2-phenyl-4-propylphenyl) (4-propylphenyl) hydrogen phosphate

C24H27O4P — CID 139830471

IUPAC(2-phenyl-4-propylphenyl) (4-propylphenyl) hydrogen phosphate
SMILESCCCc1ccc(OP(=O)(O)Oc2ccc(CCC)cc2-c2ccccc2)cc1
InChIInChI=1S/C24H27O4P/c1-3-8-19-12-15-22(16-13-19)27-29(25,26)28-24-17-14-20(9-4-2)18-23(24)21-10-6-5-7-11-21/h5-7,10-18H,3-4,8-9H2,1-2H3,(H,25,26)
InChIKeyZYGCHNWRYJTYGQ-UHFFFAOYSA-N
MW410.45 g/mol
LogP6.82
Rot. Bonds9

About (2-phenyl-4-propylphenyl) (4-propylphenyl) hydrogen phosphate

(2-phenyl-4-propylphenyl) (4-propylphenyl) hydrogen phosphate (PubChem CID 139830471) has the molecular formula C24H27O4P and a molecular weight of 410.45 g/mol. Its IUPAC name is (2-phenyl-4-propylphenyl) (4-propylphenyl) hydrogen phosphate.

Molecular Properties

Compound Name(2-phenyl-4-propylphenyl) (4-propylphenyl) hydrogen phosphate
PubChem CID139830471
Molecular FormulaC24H27O4P
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name(2-phenyl-4-propylphenyl) (4-propylphenyl) hydrogen phosphate
SMILESCCCc1ccc(OP(=O)(O)Oc2ccc(CCC)cc2-c2ccccc2)cc1
InChIInChI=1S/C24H27O4P/c1-3-8-19-12-15-22(16-13-19)27-29(25,26)28-24-17-14-20(9-4-2)18-23(24)21-10-6-5-7-11-21/h5-7,10-18H,3-4,8-9H2,1-2H3,(H,25,26)
InChIKeyZYGCHNWRYJTYGQ-UHFFFAOYSA-N
XLogP6.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl (2-phenylphenyl) hydrogen phosphate
CID 21401890
(4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate
CID 139623826
(4-hexyl-2-phenylphenyl) hydrogen carbonate
CID 66629329
2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990
[4-[3-(4-fluorophenyl)propyl]phenyl] phenyl hydrogen phosphate
CID 21402062
2-ethyl-1-phenyl-4-propylbenzene
CID 123533420
[4-(2-methylphenyl)phenyl] phenyl hydrogen phosphate
CID 140973737
(4-butylphenyl) (1-oxo-2,3-dihydroinden-4-yl) hydrogen phosphate
CID 70543978
1-phenyl-4-propylbenzene;2-(4-propylphenyl)benzoate
CID 23324392
methyl (2-phenylphenyl) hydrogen phosphate
CID 142726316
[4-[3-[4-[hydroxy(phenoxy)phosphoryl]oxyphenyl]propanoyl]-3,5-di(propanoyloxy)phenyl] propanoate
CID 21410384
2-(3-phenyl-4-propoxyphenyl)ethanamine
CID 170888303

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-4-propylphenyl) (4-propylphenyl) hydrogen phosphate?
The IUPAC name of (2-phenyl-4-propylphenyl) (4-propylphenyl) hydrogen phosphate (CID 139830471) is (2-phenyl-4-propylphenyl) (4-propylphenyl) hydrogen phosphate.
What is the SMILES notation for (2-phenyl-4-propylphenyl) (4-propylphenyl) hydrogen phosphate?
The canonical SMILES for (2-phenyl-4-propylphenyl) (4-propylphenyl) hydrogen phosphate is CCCc1ccc(OP(=O)(O)Oc2ccc(CCC)cc2-c2ccccc2)cc1.
What is the InChIKey of (2-phenyl-4-propylphenyl) (4-propylphenyl) hydrogen phosphate?
The InChIKey is ZYGCHNWRYJTYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27O4P/c1-3-8-19-12-15-22(16-13-19)27-29(25,26)28-24-17-14-20(9-4-2)18-23(24)21-10-6-5-7-11-21/h5-7,10-18H,3-4,8-9H2,1-2H3,(H,25,26).
What are the key properties of (2-phenyl-4-propylphenyl) (4-propylphenyl) hydrogen phosphate?
(2-phenyl-4-propylphenyl) (4-propylphenyl) hydrogen phosphate has a molecular weight of 410.45 g/mol, XLogP of 6.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-4-propylphenyl) (4-propylphenyl) hydrogen phosphate is sourced from PubChem (CID 139830471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).