phenacyl 2-(1-ethoxy-1-oxopropan-2-yl)oxy-6-hydroxybenzoate

C20H20O7 — CID 134120107

IUPACphenacyl 2-(1-ethoxy-1-oxopropan-2-yl)oxy-6-hydroxybenzoate
SMILESCCOC(=O)C(C)Oc1cccc(O)c1C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C20H20O7/c1-3-25-19(23)13(2)27-17-11-7-10-15(21)18(17)20(24)26-12-16(22)14-8-5-4-6-9-14/h4-11,13,21H,3,12H2,1-2H3
InChIKeyFIHZESPRVBMSLD-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.76
Rot. Bonds8

About phenacyl 2-(1-ethoxy-1-oxopropan-2-yl)oxy-6-hydroxybenzoate

phenacyl 2-(1-ethoxy-1-oxopropan-2-yl)oxy-6-hydroxybenzoate (PubChem CID 134120107) has the molecular formula C20H20O7 and a molecular weight of 372.37 g/mol. Its IUPAC name is phenacyl 2-(1-ethoxy-1-oxopropan-2-yl)oxy-6-hydroxybenzoate.

Molecular Properties

Compound Namephenacyl 2-(1-ethoxy-1-oxopropan-2-yl)oxy-6-hydroxybenzoate
PubChem CID134120107
Molecular FormulaC20H20O7
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Namephenacyl 2-(1-ethoxy-1-oxopropan-2-yl)oxy-6-hydroxybenzoate
SMILESCCOC(=O)C(C)Oc1cccc(O)c1C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C20H20O7/c1-3-25-19(23)13(2)27-17-11-7-10-15(21)18(17)20(24)26-12-16(22)14-8-5-4-6-9-14/h4-11,13,21H,3,12H2,1-2H3
InChIKeyFIHZESPRVBMSLD-UHFFFAOYSA-N
XLogP2.76
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 53297893
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CID 1336816
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]propanoate
CID 78931073
ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate
CID 56931322
ethyl 2-[2-(bromomethyl)phenoxy]propanoate
CID 11808300
[2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate
CID 11834503
ethyl 2,5-dimethyl-4-[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]-1H-pyrrole-3-carboxylate
CID 7833454
ethyl (2R)-2-(3-formyl-2-methoxyphenoxy)propanoate
CID 95239892
phenacyl 2-propylpentanoate
CID 3018234
ethyl 2-benzoyl-3-methylpent-4-enoate
CID 11447973
ethyl 4-(2-benzoyloxyacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 7514865
ethyl 2-(4-pyridin-2-ylthiophen-3-yl)oxypropanoate
CID 11778270

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-(1-ethoxy-1-oxopropan-2-yl)oxy-6-hydroxybenzoate?
The IUPAC name of phenacyl 2-(1-ethoxy-1-oxopropan-2-yl)oxy-6-hydroxybenzoate (CID 134120107) is phenacyl 2-(1-ethoxy-1-oxopropan-2-yl)oxy-6-hydroxybenzoate.
What is the SMILES notation for phenacyl 2-(1-ethoxy-1-oxopropan-2-yl)oxy-6-hydroxybenzoate?
The canonical SMILES for phenacyl 2-(1-ethoxy-1-oxopropan-2-yl)oxy-6-hydroxybenzoate is CCOC(=O)C(C)Oc1cccc(O)c1C(=O)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 2-(1-ethoxy-1-oxopropan-2-yl)oxy-6-hydroxybenzoate?
The InChIKey is FIHZESPRVBMSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O7/c1-3-25-19(23)13(2)27-17-11-7-10-15(21)18(17)20(24)26-12-16(22)14-8-5-4-6-9-14/h4-11,13,21H,3,12H2,1-2H3.
What are the key properties of phenacyl 2-(1-ethoxy-1-oxopropan-2-yl)oxy-6-hydroxybenzoate?
phenacyl 2-(1-ethoxy-1-oxopropan-2-yl)oxy-6-hydroxybenzoate has a molecular weight of 372.37 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-(1-ethoxy-1-oxopropan-2-yl)oxy-6-hydroxybenzoate is sourced from PubChem (CID 134120107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).