(4-acetyloxyphenyl)methoxy-methylphosphinic acid

C10H13O5P — CID 14959132

IUPAC(4-acetyloxyphenyl)methoxy-methylphosphinic acid
SMILESCC(=O)Oc1ccc(COP(C)(=O)O)cc1
InChIInChI=1S/C10H13O5P/c1-8(11)15-10-5-3-9(4-6-10)7-14-16(2,12)13/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyHFASAUFBNGLKDO-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.94
Rot. Bonds4

About (4-acetyloxyphenyl)methoxy-methylphosphinic acid

(4-acetyloxyphenyl)methoxy-methylphosphinic acid (PubChem CID 14959132) has the molecular formula C10H13O5P and a molecular weight of 244.18 g/mol. Its IUPAC name is (4-acetyloxyphenyl)methoxy-methylphosphinic acid.

Molecular Properties

Compound Name(4-acetyloxyphenyl)methoxy-methylphosphinic acid
PubChem CID14959132
Molecular FormulaC10H13O5P
Molecular Weight244.18 g/mol
Exact Mass244.05
IUPAC Name(4-acetyloxyphenyl)methoxy-methylphosphinic acid
SMILESCC(=O)Oc1ccc(COP(C)(=O)O)cc1
InChIInChI=1S/C10H13O5P/c1-8(11)15-10-5-3-9(4-6-10)7-14-16(2,12)13/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyHFASAUFBNGLKDO-UHFFFAOYSA-N
XLogP1.94
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)methoxy-methylphosphinic acid
CID 18801166
(4-acetyloxyphenyl)methoxy-(2-methoxy-2-oxoethyl)phosphinic acid
CID 10086206
(4-fluorophenyl)methoxy-methylphosphinic acid
CID 87156273
[4-bis(phenylmethoxy)phosphoryloxyphenyl] acetate
CID 163952948
[4-[[(4-acetyloxyphenyl)methoxy-[(1R,2S,3S,4R,5R,6S)-2-[bis[(4-acetyloxyphenyl)methoxy]phosphoryloxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl]oxyphosphoryl]oxymethyl]phenyl] acetate
CID 118730689
[4-[[(4-acetyloxyphenyl)methoxy-[3,5-bis[bis[(4-acetyloxyphenyl)methoxy]phosphoryloxy]-2,4,6-tris(phenylmethoxy)cyclohexyl]oxyphosphoryl]oxymethyl]phenyl] acetate
CID 118730696
[4-[[(4-acetyloxyphenyl)methoxy-[(1S,3S,4S,6R)-2,3-bis[bis[(4-acetyloxyphenyl)methoxy]phosphoryloxy]-4,5,6-tris(phenylmethoxy)cyclohexyl]oxyphosphoryl]oxymethyl]phenyl] acetate
CID 118730703
(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate
CID 158634660
6-(4-acetyloxyphenyl)-4-[bis[(4-acetyloxyphenyl)methoxy]phosphorylmethyl]-5-oxohexanoic acid
CID 140802825
[4-(3-methyl-2-oxobutyl)phenyl] acetate
CID 129154972
[4-(2-chloroethyl)phenyl] acetate
CID 11847845
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxyphenyl)methoxy-methylphosphinic acid?
The IUPAC name of (4-acetyloxyphenyl)methoxy-methylphosphinic acid (CID 14959132) is (4-acetyloxyphenyl)methoxy-methylphosphinic acid.
What is the SMILES notation for (4-acetyloxyphenyl)methoxy-methylphosphinic acid?
The canonical SMILES for (4-acetyloxyphenyl)methoxy-methylphosphinic acid is CC(=O)Oc1ccc(COP(C)(=O)O)cc1.
What is the InChIKey of (4-acetyloxyphenyl)methoxy-methylphosphinic acid?
The InChIKey is HFASAUFBNGLKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O5P/c1-8(11)15-10-5-3-9(4-6-10)7-14-16(2,12)13/h3-6H,7H2,1-2H3,(H,12,13).
What are the key properties of (4-acetyloxyphenyl)methoxy-methylphosphinic acid?
(4-acetyloxyphenyl)methoxy-methylphosphinic acid has a molecular weight of 244.18 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxyphenyl)methoxy-methylphosphinic acid is sourced from PubChem (CID 14959132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).