diphenyl 5-phenylpent-1-en-2-yl phosphate

C23H23O4P — CID 142711639

IUPACdiphenyl 5-phenylpent-1-en-2-yl phosphate
SMILESC=C(CCCc1ccccc1)OP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C23H23O4P/c1-20(12-11-15-21-13-5-2-6-14-21)25-28(24,26-22-16-7-3-8-17-22)27-23-18-9-4-10-19-23/h2-10,13-14,16-19H,1,11-12,15H2
InChIKeyLUNHMWWRRYFILU-UHFFFAOYSA-N
MW394.41 g/mol
LogP6.81
Rot. Bonds10

About diphenyl 5-phenylpent-1-en-2-yl phosphate

diphenyl 5-phenylpent-1-en-2-yl phosphate (PubChem CID 142711639) has the molecular formula C23H23O4P and a molecular weight of 394.41 g/mol. Its IUPAC name is diphenyl 5-phenylpent-1-en-2-yl phosphate.

Molecular Properties

Compound Namediphenyl 5-phenylpent-1-en-2-yl phosphate
PubChem CID142711639
Molecular FormulaC23H23O4P
Molecular Weight394.41 g/mol
Exact Mass394.13
IUPAC Namediphenyl 5-phenylpent-1-en-2-yl phosphate
SMILESC=C(CCCc1ccccc1)OP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C23H23O4P/c1-20(12-11-15-21-13-5-2-6-14-21)25-28(24,26-22-16-7-3-8-17-22)27-23-18-9-4-10-19-23/h2-10,13-14,16-19H,1,11-12,15H2
InChIKeyLUNHMWWRRYFILU-UHFFFAOYSA-N
XLogP6.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.41
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diphenoxyphosphoryl 4-propylbenzoate
CID 175195259
1-[2-[ethoxy(5-phenylpent-1-en-2-yloxy)phosphoryl]ethynyl]-4-methylbenzene
CID 118218008
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
(3-pentadecylphenyl) diphenyl phosphate
CID 101494107
1-cyclohexylethenyl diphenyl phosphate
CID 102084155
[4-[3-(4-fluorophenyl)propyl]phenyl] phenyl hydrogen phosphate
CID 21402062
diphenoxyphosphoryl 4-ethylbenzoate
CID 175366295
benzyl(phenoxy)phosphinic acid
CID 54071062
benzyl phenyl phosphono phosphate
CID 150753839
formic acid;phenyl 4-phenylbutanoate
CID 70492478

Frequently Asked Questions

What is the IUPAC name of diphenyl 5-phenylpent-1-en-2-yl phosphate?
The IUPAC name of diphenyl 5-phenylpent-1-en-2-yl phosphate (CID 142711639) is diphenyl 5-phenylpent-1-en-2-yl phosphate.
What is the SMILES notation for diphenyl 5-phenylpent-1-en-2-yl phosphate?
The canonical SMILES for diphenyl 5-phenylpent-1-en-2-yl phosphate is C=C(CCCc1ccccc1)OP(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenyl 5-phenylpent-1-en-2-yl phosphate?
The InChIKey is LUNHMWWRRYFILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23O4P/c1-20(12-11-15-21-13-5-2-6-14-21)25-28(24,26-22-16-7-3-8-17-22)27-23-18-9-4-10-19-23/h2-10,13-14,16-19H,1,11-12,15H2.
What are the key properties of diphenyl 5-phenylpent-1-en-2-yl phosphate?
diphenyl 5-phenylpent-1-en-2-yl phosphate has a molecular weight of 394.41 g/mol, XLogP of 6.81, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl 5-phenylpent-1-en-2-yl phosphate is sourced from PubChem (CID 142711639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).