phenyl [2,3,4-tris(prop-2-enyl)phenyl] hydrogen phosphate

C21H23O4P — CID 67292984

IUPACphenyl [2,3,4-tris(prop-2-enyl)phenyl] hydrogen phosphate
SMILESC=CCc1ccc(OP(=O)(O)Oc2ccccc2)c(CC=C)c1CC=C
InChIInChI=1S/C21H23O4P/c1-4-10-17-15-16-21(20(12-6-3)19(17)11-5-2)25-26(22,23)24-18-13-8-7-9-14-18/h4-9,13-16H,1-3,10-12H2,(H,22,23)
InChIKeyIUAIUBVJBINRSV-UHFFFAOYSA-N
MW370.39 g/mol
LogP5.43
Rot. Bonds10

About phenyl [2,3,4-tris(prop-2-enyl)phenyl] hydrogen phosphate

phenyl [2,3,4-tris(prop-2-enyl)phenyl] hydrogen phosphate (PubChem CID 67292984) has the molecular formula C21H23O4P and a molecular weight of 370.39 g/mol. Its IUPAC name is phenyl [2,3,4-tris(prop-2-enyl)phenyl] hydrogen phosphate.

Molecular Properties

Compound Namephenyl [2,3,4-tris(prop-2-enyl)phenyl] hydrogen phosphate
PubChem CID67292984
Molecular FormulaC21H23O4P
Molecular Weight370.39 g/mol
Exact Mass370.13
IUPAC Namephenyl [2,3,4-tris(prop-2-enyl)phenyl] hydrogen phosphate
SMILESC=CCc1ccc(OP(=O)(O)Oc2ccccc2)c(CC=C)c1CC=C
InChIInChI=1S/C21H23O4P/c1-4-10-17-15-16-21(20(12-6-3)19(17)11-5-2)25-26(22,23)24-18-13-8-7-9-14-18/h4-9,13-16H,1-3,10-12H2,(H,22,23)
InChIKeyIUAIUBVJBINRSV-UHFFFAOYSA-N
XLogP5.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.39
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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(2-prop-2-enylphenyl) hydrogen phosphate
CID 68656699
diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
phenoxy-(4-prop-2-enylphenyl)phosphinic acid
CID 141245969
diphenyl hydrogen phosphate;N-phenylaniline
CID 172852100
1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene
CID 87155986
chloroform;diphenyl hydrogen phosphate
CID 174899919
ethenyl-(2-prop-2-enylphenoxy)phosphinic acid
CID 87155476
4-[hydroxy(phenoxy)phosphoryl]oxybutyl phenyl hydrogen phosphate
CID 101208823
[3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol
CID 173437645

Frequently Asked Questions

What is the IUPAC name of phenyl [2,3,4-tris(prop-2-enyl)phenyl] hydrogen phosphate?
The IUPAC name of phenyl [2,3,4-tris(prop-2-enyl)phenyl] hydrogen phosphate (CID 67292984) is phenyl [2,3,4-tris(prop-2-enyl)phenyl] hydrogen phosphate.
What is the SMILES notation for phenyl [2,3,4-tris(prop-2-enyl)phenyl] hydrogen phosphate?
The canonical SMILES for phenyl [2,3,4-tris(prop-2-enyl)phenyl] hydrogen phosphate is C=CCc1ccc(OP(=O)(O)Oc2ccccc2)c(CC=C)c1CC=C.
What is the InChIKey of phenyl [2,3,4-tris(prop-2-enyl)phenyl] hydrogen phosphate?
The InChIKey is IUAIUBVJBINRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23O4P/c1-4-10-17-15-16-21(20(12-6-3)19(17)11-5-2)25-26(22,23)24-18-13-8-7-9-14-18/h4-9,13-16H,1-3,10-12H2,(H,22,23).
What are the key properties of phenyl [2,3,4-tris(prop-2-enyl)phenyl] hydrogen phosphate?
phenyl [2,3,4-tris(prop-2-enyl)phenyl] hydrogen phosphate has a molecular weight of 370.39 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl [2,3,4-tris(prop-2-enyl)phenyl] hydrogen phosphate is sourced from PubChem (CID 67292984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).