3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate

C12H15O5P — CID 70271994

IUPAC3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate
SMILESC=CCc1ccccc1OC=CCOP(=O)(O)O
InChIInChI=1S/C12H15O5P/c1-2-6-11-7-3-4-8-12(11)16-9-5-10-17-18(13,14)15/h2-5,7-9H,1,6,10H2,(H2,13,14,15)
InChIKeyVNEVCYISONDJRF-UHFFFAOYSA-N
MW270.22 g/mol
LogP2.42
Rot. Bonds7

About 3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate

3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate (PubChem CID 70271994) has the molecular formula C12H15O5P and a molecular weight of 270.22 g/mol. Its IUPAC name is 3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate.

Molecular Properties

Compound Name3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate
PubChem CID70271994
Molecular FormulaC12H15O5P
Molecular Weight270.22 g/mol
Exact Mass270.07
IUPAC Name3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate
SMILESC=CCc1ccccc1OC=CCOP(=O)(O)O
InChIInChI=1S/C12H15O5P/c1-2-6-11-7-3-4-8-12(11)16-9-5-10-17-18(13,14)15/h2-5,7-9H,1,6,10H2,(H2,13,14,15)
InChIKeyVNEVCYISONDJRF-UHFFFAOYSA-N
XLogP2.42
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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
ethenyl-(2-prop-2-enylphenoxy)phosphinic acid
CID 87155476
1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene
CID 87155986
phenol;prop-2-enyl dihydrogen phosphate
CID 66654883
(2-prop-2-enylphenyl) dihydrogen phosphate;2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
CID 87930976
CID 15477926
CID 15477926
(2-prop-2-enylphenyl) acetate;dihydrobromide
CID 70043796
(2-prop-2-enylphenyl) 2-oxoacetate
CID 87234163
hydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 88814487
methane;prop-2-enyl dihydrogen phosphate
CID 87755414
2-penta-1,4-dienoxyphenol
CID 70416089
[2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid
CID 87520334

Frequently Asked Questions

What is the IUPAC name of 3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate?
The IUPAC name of 3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate (CID 70271994) is 3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate.
What is the SMILES notation for 3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate?
The canonical SMILES for 3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate is C=CCc1ccccc1OC=CCOP(=O)(O)O.
What is the InChIKey of 3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate?
The InChIKey is VNEVCYISONDJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O5P/c1-2-6-11-7-3-4-8-12(11)16-9-5-10-17-18(13,14)15/h2-5,7-9H,1,6,10H2,(H2,13,14,15).
What are the key properties of 3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate?
3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate has a molecular weight of 270.22 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate is sourced from PubChem (CID 70271994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).