methyl 4-[2-(4-acetylphenoxy)propanoyloxymethyl]benzoate

C20H20O6 — CID 42899505

IUPACmethyl 4-[2-(4-acetylphenoxy)propanoyloxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)C(C)Oc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C20H20O6/c1-13(21)16-8-10-18(11-9-16)26-14(2)19(22)25-12-15-4-6-17(7-5-15)20(23)24-3/h4-11,14H,12H2,1-3H3
InChIKeyOVKATWFRHUTVFB-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.19
Rot. Bonds7

About methyl 4-[2-(4-acetylphenoxy)propanoyloxymethyl]benzoate

methyl 4-[2-(4-acetylphenoxy)propanoyloxymethyl]benzoate (PubChem CID 42899505) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is methyl 4-[2-(4-acetylphenoxy)propanoyloxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(4-acetylphenoxy)propanoyloxymethyl]benzoate
PubChem CID42899505
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Namemethyl 4-[2-(4-acetylphenoxy)propanoyloxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)C(C)Oc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C20H20O6/c1-13(21)16-8-10-18(11-9-16)26-14(2)19(22)25-12-15-4-6-17(7-5-15)20(23)24-3/h4-11,14H,12H2,1-3H3
InChIKeyOVKATWFRHUTVFB-UHFFFAOYSA-N
XLogP3.19
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[(2R)-2-(4-acetylphenoxy)propanoyl]oxymethyl]benzoate
CID 41050247
[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
CID 23737520
(4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate
CID 7728035
methyl 4-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]oxymethyl]benzoate
CID 7568295
methyl 4-(carbonochloridoyloxymethyl)benzoate
CID 54328192
methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate
CID 24511118
methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965103
methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate
CID 86053961
[2-(4-bromophenyl)-2-oxoethyl] 2-(4-acetylphenoxy)propanoate
CID 4882816
[2-(4-bromophenyl)-2-oxoethyl] (2S)-2-(4-acetylphenoxy)propanoate
CID 2471598
methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate
CID 103337931
(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate
CID 35968055

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-acetylphenoxy)propanoyloxymethyl]benzoate?
The IUPAC name of methyl 4-[2-(4-acetylphenoxy)propanoyloxymethyl]benzoate (CID 42899505) is methyl 4-[2-(4-acetylphenoxy)propanoyloxymethyl]benzoate.
What is the SMILES notation for methyl 4-[2-(4-acetylphenoxy)propanoyloxymethyl]benzoate?
The canonical SMILES for methyl 4-[2-(4-acetylphenoxy)propanoyloxymethyl]benzoate is COC(=O)c1ccc(COC(=O)C(C)Oc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of methyl 4-[2-(4-acetylphenoxy)propanoyloxymethyl]benzoate?
The InChIKey is OVKATWFRHUTVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O6/c1-13(21)16-8-10-18(11-9-16)26-14(2)19(22)25-12-15-4-6-17(7-5-15)20(23)24-3/h4-11,14H,12H2,1-3H3.
What are the key properties of methyl 4-[2-(4-acetylphenoxy)propanoyloxymethyl]benzoate?
methyl 4-[2-(4-acetylphenoxy)propanoyloxymethyl]benzoate has a molecular weight of 356.37 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-acetylphenoxy)propanoyloxymethyl]benzoate is sourced from PubChem (CID 42899505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).