[4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate

C21H19O5P — CID 67678043

IUPAC[4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate
SMILESC=CC(O)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C21H19O5P/c1-2-21(22)17-13-15-20(16-14-17)26-27(23,24-18-9-5-3-6-10-18)25-19-11-7-4-8-12-19/h2-16,21-22H,1H2
InChIKeyGZRBBBJBELVWOS-UHFFFAOYSA-N
MW382.35 g/mol
LogP5.55
Rot. Bonds8

About [4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate

[4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate (PubChem CID 67678043) has the molecular formula C21H19O5P and a molecular weight of 382.35 g/mol. Its IUPAC name is [4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate.

Molecular Properties

Compound Name[4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate
PubChem CID67678043
Molecular FormulaC21H19O5P
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Name[4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate
SMILESC=CC(O)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C21H19O5P/c1-2-21(22)17-13-15-20(16-14-17)26-27(23,24-18-9-5-3-6-10-18)25-19-11-7-4-8-12-19/h2-16,21-22H,1H2
InChIKeyGZRBBBJBELVWOS-UHFFFAOYSA-N
XLogP5.55
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.35
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
benzene;1-phenylprop-2-en-1-ol
CID 174884403
triphenyl phosphate;hydrate
CID 66881958
tris(4-phenoxyphenyl) phosphate
CID 70576220
2-methylpropane;triphenyl phosphate
CID 91193965
tris[4-(1-phenylethyl)phenyl] phosphate
CID 519343
bis(ethenyl) phenyl phosphate
CID 22119346
(S)-diphenoxyphosphoryl(phenyl)methanol
CID 36690824
(4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate
CID 126496961
(3,4-difluorophenyl) diphenyl phosphate
CID 138736983
bis(3,4-difluorophenyl) phenyl phosphate
CID 138736917
benzhydryl diphenyl phosphate
CID 13353620

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate?
The IUPAC name of [4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate (CID 67678043) is [4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate.
What is the SMILES notation for [4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate?
The canonical SMILES for [4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate is C=CC(O)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of [4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate?
The InChIKey is GZRBBBJBELVWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19O5P/c1-2-21(22)17-13-15-20(16-14-17)26-27(23,24-18-9-5-3-6-10-18)25-19-11-7-4-8-12-19/h2-16,21-22H,1H2.
What are the key properties of [4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate?
[4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate has a molecular weight of 382.35 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate is sourced from PubChem (CID 67678043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).