(4-acetyloxyphenyl)methoxy-(2-methoxy-2-oxoethyl)phosphinic acid

C12H15O7P — CID 10086206

IUPAC(4-acetyloxyphenyl)methoxy-(2-methoxy-2-oxoethyl)phosphinic acid
SMILESCOC(=O)CP(=O)(O)OCc1ccc(OC(C)=O)cc1
InChIInChI=1S/C12H15O7P/c1-9(13)19-11-5-3-10(4-6-11)7-18-20(15,16)8-12(14)17-2/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyQSNUBNGSNYNKGZ-UHFFFAOYSA-N
MW302.22 g/mol
LogP1.49
Rot. Bonds6

About (4-acetyloxyphenyl)methoxy-(2-methoxy-2-oxoethyl)phosphinic acid

(4-acetyloxyphenyl)methoxy-(2-methoxy-2-oxoethyl)phosphinic acid (PubChem CID 10086206) has the molecular formula C12H15O7P and a molecular weight of 302.22 g/mol. Its IUPAC name is (4-acetyloxyphenyl)methoxy-(2-methoxy-2-oxoethyl)phosphinic acid.

Molecular Properties

Compound Name(4-acetyloxyphenyl)methoxy-(2-methoxy-2-oxoethyl)phosphinic acid
PubChem CID10086206
Molecular FormulaC12H15O7P
Molecular Weight302.22 g/mol
Exact Mass302.06
IUPAC Name(4-acetyloxyphenyl)methoxy-(2-methoxy-2-oxoethyl)phosphinic acid
SMILESCOC(=O)CP(=O)(O)OCc1ccc(OC(C)=O)cc1
InChIInChI=1S/C12H15O7P/c1-9(13)19-11-5-3-10(4-6-11)7-18-20(15,16)8-12(14)17-2/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyQSNUBNGSNYNKGZ-UHFFFAOYSA-N
XLogP1.49
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-acetyloxyphenyl)methoxy-methylphosphinic acid
CID 14959132
[4-(2,2-dimethylpropanoyloxy)phenyl]methoxy-(2-methoxy-2-oxoethyl)phosphinate
CID 10246815
(4-butanoyloxyphenyl)methoxy-(2-methoxy-2-oxoethyl)phosphinate
CID 10336660
[4-bis(phenylmethoxy)phosphoryloxyphenyl] acetate
CID 163952948
ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid
CID 86208858
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
[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-(acetamidomethyl)phenyl] acetate
CID 15576450
(4-methoxyphenyl)methoxy-methylphosphinic acid
CID 18801166
methyl 2-[4-(acetyloxymethyl)phenyl]acetate
CID 14793789

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxyphenyl)methoxy-(2-methoxy-2-oxoethyl)phosphinic acid?
The IUPAC name of (4-acetyloxyphenyl)methoxy-(2-methoxy-2-oxoethyl)phosphinic acid (CID 10086206) is (4-acetyloxyphenyl)methoxy-(2-methoxy-2-oxoethyl)phosphinic acid.
What is the SMILES notation for (4-acetyloxyphenyl)methoxy-(2-methoxy-2-oxoethyl)phosphinic acid?
The canonical SMILES for (4-acetyloxyphenyl)methoxy-(2-methoxy-2-oxoethyl)phosphinic acid is COC(=O)CP(=O)(O)OCc1ccc(OC(C)=O)cc1.
What is the InChIKey of (4-acetyloxyphenyl)methoxy-(2-methoxy-2-oxoethyl)phosphinic acid?
The InChIKey is QSNUBNGSNYNKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O7P/c1-9(13)19-11-5-3-10(4-6-11)7-18-20(15,16)8-12(14)17-2/h3-6H,7-8H2,1-2H3,(H,15,16).
What are the key properties of (4-acetyloxyphenyl)methoxy-(2-methoxy-2-oxoethyl)phosphinic acid?
(4-acetyloxyphenyl)methoxy-(2-methoxy-2-oxoethyl)phosphinic acid has a molecular weight of 302.22 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxyphenyl)methoxy-(2-methoxy-2-oxoethyl)phosphinic acid is sourced from PubChem (CID 10086206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).