phenol;prop-2-enyl dihydrogen phosphate

C9H13O5P — CID 66654883

IUPACphenol;prop-2-enyl dihydrogen phosphate
SMILESC=CCOP(=O)(O)O.Oc1ccccc1
InChIInChI=1S/C6H6O.C3H7O4P/c7-6-4-2-1-3-5-6;1-2-3-7-8(4,5)6/h1-5,7H;2H,1,3H2,(H2,4,5,6)
InChIKeyZRDXANOTXRTTAD-UHFFFAOYSA-N
MW232.17 g/mol
LogP1.67
Rot. Bonds3

About phenol;prop-2-enyl dihydrogen phosphate

phenol;prop-2-enyl dihydrogen phosphate (PubChem CID 66654883) has the molecular formula C9H13O5P and a molecular weight of 232.17 g/mol. Its IUPAC name is phenol;prop-2-enyl dihydrogen phosphate.

Molecular Properties

Compound Namephenol;prop-2-enyl dihydrogen phosphate
PubChem CID66654883
Molecular FormulaC9H13O5P
Molecular Weight232.17 g/mol
Exact Mass232.05
IUPAC Namephenol;prop-2-enyl dihydrogen phosphate
SMILESC=CCOP(=O)(O)O.Oc1ccccc1
InChIInChI=1S/C6H6O.C3H7O4P/c7-6-4-2-1-3-5-6;1-2-3-7-8(4,5)6/h1-5,7H;2H,1,3H2,(H2,4,5,6)
InChIKeyZRDXANOTXRTTAD-UHFFFAOYSA-N
XLogP1.67
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 51.67
H-Bond Donors ≤ 53
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

dihydroxy-prop-2-enoxy-sulfanylidene-λ5-phosphane;phenol
CID 87149561
methane;prop-2-enyl dihydrogen phosphate
CID 87755414
carbonochloridic acid;prop-2-enyl dihydrogen phosphate
CID 174647685
trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate
CID 174828958
methylphosphonic acid;phenol
CID 175231709
phenol;phosphoric acid
CID 157339539
phenyl phosphono prop-2-enyl phosphate
CID 88721079
phosphoric acid;prop-2-enoxybenzene
CID 66665136
phenol;4-prop-2-enoxyphenol
CID 70303777
carbonic acid;phenol;phosphoric acid
CID 70560640
3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate
CID 70271994
benzene;phenol;prop-2-enoic acid
CID 174875932

Frequently Asked Questions

What is the IUPAC name of phenol;prop-2-enyl dihydrogen phosphate?
The IUPAC name of phenol;prop-2-enyl dihydrogen phosphate (CID 66654883) is phenol;prop-2-enyl dihydrogen phosphate.
What is the SMILES notation for phenol;prop-2-enyl dihydrogen phosphate?
The canonical SMILES for phenol;prop-2-enyl dihydrogen phosphate is C=CCOP(=O)(O)O.Oc1ccccc1.
What is the InChIKey of phenol;prop-2-enyl dihydrogen phosphate?
The InChIKey is ZRDXANOTXRTTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C3H7O4P/c7-6-4-2-1-3-5-6;1-2-3-7-8(4,5)6/h1-5,7H;2H,1,3H2,(H2,4,5,6).
What are the key properties of phenol;prop-2-enyl dihydrogen phosphate?
phenol;prop-2-enyl dihydrogen phosphate has a molecular weight of 232.17 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;prop-2-enyl dihydrogen phosphate is sourced from PubChem (CID 66654883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).