(4-prop-2-enoyloxyphenyl)phosphonic acid

C9H9O5P — CID 69294557

IUPAC(4-prop-2-enoyloxyphenyl)phosphonic acid
SMILESC=CC(=O)Oc1ccc(P(=O)(O)O)cc1
InChIInChI=1S/C9H9O5P/c1-2-9(10)14-7-3-5-8(6-4-7)15(11,12)13/h2-6H,1H2,(H2,11,12,13)
InChIKeySUMCDGIGUPGKFQ-UHFFFAOYSA-N
MW228.14 g/mol
LogP0.58
Rot. Bonds3

About (4-prop-2-enoyloxyphenyl)phosphonic acid

(4-prop-2-enoyloxyphenyl)phosphonic acid (PubChem CID 69294557) has the molecular formula C9H9O5P and a molecular weight of 228.14 g/mol. Its IUPAC name is (4-prop-2-enoyloxyphenyl)phosphonic acid.

Molecular Properties

Compound Name(4-prop-2-enoyloxyphenyl)phosphonic acid
PubChem CID69294557
Molecular FormulaC9H9O5P
Molecular Weight228.14 g/mol
Exact Mass228.02
IUPAC Name(4-prop-2-enoyloxyphenyl)phosphonic acid
SMILESC=CC(=O)Oc1ccc(P(=O)(O)O)cc1
InChIInChI=1S/C9H9O5P/c1-2-9(10)14-7-3-5-8(6-4-7)15(11,12)13/h2-6H,1H2,(H2,11,12,13)
InChIKeySUMCDGIGUPGKFQ-UHFFFAOYSA-N
XLogP0.58
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate
CID 59739086
[4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
CID 90224723
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
(4-hydroxyphenyl) prop-2-enoate;methoxymethane
CID 67882332
(4-ethynylphenyl) prop-2-enoate
CID 71343404
[4-(2-oxoethyl)phenyl] prop-2-enoate
CID 141400952
phenyl prop-2-enoate;triphenylene
CID 159225619
[4-[[4-bis[(4-prop-2-enoyloxyphenyl)sulfanyl]bismuthanylphenyl]-(4-prop-2-enoyloxyphenyl)sulfanylbismuthanyl]sulfanylphenyl] prop-2-enoate
CID 172785244
2-[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenoxy]ethenyl prop-2-enoate
CID 123925942
methyl 4-prop-2-enoyloxybenzoate
CID 18402609
(4-methylsulfonylphenyl) prop-2-enoate
CID 89374754
[4-[[3,5-bis[bis(4-prop-2-enoyloxyphenyl)stibanyl]phenyl]-(4-prop-2-enoyloxyphenyl)stibanyl]phenyl] prop-2-enoate
CID 172799970

Frequently Asked Questions

What is the IUPAC name of (4-prop-2-enoyloxyphenyl)phosphonic acid?
The IUPAC name of (4-prop-2-enoyloxyphenyl)phosphonic acid (CID 69294557) is (4-prop-2-enoyloxyphenyl)phosphonic acid.
What is the SMILES notation for (4-prop-2-enoyloxyphenyl)phosphonic acid?
The canonical SMILES for (4-prop-2-enoyloxyphenyl)phosphonic acid is C=CC(=O)Oc1ccc(P(=O)(O)O)cc1.
What is the InChIKey of (4-prop-2-enoyloxyphenyl)phosphonic acid?
The InChIKey is SUMCDGIGUPGKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O5P/c1-2-9(10)14-7-3-5-8(6-4-7)15(11,12)13/h2-6H,1H2,(H2,11,12,13).
What are the key properties of (4-prop-2-enoyloxyphenyl)phosphonic acid?
(4-prop-2-enoyloxyphenyl)phosphonic acid has a molecular weight of 228.14 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enoyloxyphenyl)phosphonic acid is sourced from PubChem (CID 69294557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).