acetyloxymethyl 4-(4-methoxyphenyl)benzoate;(4-methoxyphenyl) 4-acetyloxybenzoate;(4-methoxyphenyl) 4-methoxybenzoate;[4-(4-methoxyphenyl)phenoxy]methyl acetate;methyl 4-(4-acetyloxyphenyl)benzoate;methyl 4-(4-methoxyphenyl)benzoate

C95H88O25 — CID 157485537

IUPACacetyloxymethyl 4-(4-methoxyphenyl)benzoate;(4-methoxyphenyl) 4-acetyloxybenzoate;(4-methoxyphenyl) 4-methoxybenzoate;[4-(4-methoxyphenyl)phenoxy]methyl acetate;methyl 4-(4-acetyloxyphenyl)benzoate;methyl 4-(4-methoxyphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1.COC(=O)c1ccc(-c2ccc(OC)cc2)cc1.COc1ccc(-c2ccc(C(=O)OCOC(C)=O)cc2)cc1.COc1ccc(-c2ccc(OCOC(C)=O)cc2)cc1.COc1ccc(OC(=O)c2ccc(OC(C)=O)cc2)cc1.COc1ccc(OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H16O5.C16H14O5.C16H16O4.C16H14O4.C15H14O4.C15H14O3/c1-12(18)21-11-22-17(19)15-5-3-13(4-6-15)14-7-9-16(20-2)10-8-14;1-11(17)20-14-5-3-12(4-6-14)16(18)21-15-9-7-13(19-2)8-10-15;1-12(17)19-11-20-16-9-5-14(6-10-16)13-3-7-15(18-2)8-4-13;1-11(17)20-15-9-7-13(8-10-15)12-3-5-14(6-4-12)16(18)19-2;1-17-12-5-3-11(4-6-12)15(16)19-14-9-7-13(18-2)8-10-14;1-17-14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(16)18-2/h3-10H,11H2,1-2H3;3-10H,1-2H3;3-10H,11H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-10H,1-2H3
InChIKeyBWRAYPKCXCXQRM-UHFFFAOYSA-N
MW1629.72 g/mol
LogP18.28
Rot. Bonds24

About acetyloxymethyl 4-(4-methoxyphenyl)benzoate;(4-methoxyphenyl) 4-acetyloxybenzoate;(4-methoxyphenyl) 4-methoxybenzoate;[4-(4-methoxyphenyl)phenoxy]methyl acetate;methyl 4-(4-acetyloxyphenyl)benzoate;methyl 4-(4-methoxyphenyl)benzoate

acetyloxymethyl 4-(4-methoxyphenyl)benzoate;(4-methoxyphenyl) 4-acetyloxybenzoate;(4-methoxyphenyl) 4-methoxybenzoate;[4-(4-methoxyphenyl)phenoxy]methyl acetate;methyl 4-(4-acetyloxyphenyl)benzoate;methyl 4-(4-methoxyphenyl)benzoate (PubChem CID 157485537) has the molecular formula C95H88O25 and a molecular weight of 1629.72 g/mol. Its IUPAC name is acetyloxymethyl 4-(4-methoxyphenyl)benzoate;(4-methoxyphenyl) 4-acetyloxybenzoate;(4-methoxyphenyl) 4-methoxybenzoate;[4-(4-methoxyphenyl)phenoxy]methyl acetate;methyl 4-(4-acetyloxyphenyl)benzoate;methyl 4-(4-methoxyphenyl)benzoate.

Molecular Properties

Compound Nameacetyloxymethyl 4-(4-methoxyphenyl)benzoate;(4-methoxyphenyl) 4-acetyloxybenzoate;(4-methoxyphenyl) 4-methoxybenzoate;[4-(4-methoxyphenyl)phenoxy]methyl acetate;methyl 4-(4-acetyloxyphenyl)benzoate;methyl 4-(4-methoxyphenyl)benzoate
PubChem CID157485537
Molecular FormulaC95H88O25
Molecular Weight1629.72 g/mol
Exact Mass1628.56
IUPAC Nameacetyloxymethyl 4-(4-methoxyphenyl)benzoate;(4-methoxyphenyl) 4-acetyloxybenzoate;(4-methoxyphenyl) 4-methoxybenzoate;[4-(4-methoxyphenyl)phenoxy]methyl acetate;methyl 4-(4-acetyloxyphenyl)benzoate;methyl 4-(4-methoxyphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1.COC(=O)c1ccc(-c2ccc(OC)cc2)cc1.COc1ccc(-c2ccc(C(=O)OCOC(C)=O)cc2)cc1.COc1ccc(-c2ccc(OCOC(C)=O)cc2)cc1.COc1ccc(OC(=O)c2ccc(OC(C)=O)cc2)cc1.COc1ccc(OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H16O5.C16H14O5.C16H16O4.C16H14O4.C15H14O4.C15H14O3/c1-12(18)21-11-22-17(19)15-5-3-13(4-6-15)14-7-9-16(20-2)10-8-14;1-11(17)20-14-5-3-12(4-6-14)16(18)21-15-9-7-13(19-2)8-10-15;1-12(17)19-11-20-16-9-5-14(6-10-16)13-3-7-15(18-2)8-4-13;1-11(17)20-15-9-7-13(8-10-15)12-3-5-14(6-4-12)16(18)19-2;1-17-12-5-3-11(4-6-12)15(16)19-14-9-7-13(18-2)8-10-14;1-17-14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(16)18-2/h3-10H,11H2,1-2H3;3-10H,1-2H3;3-10H,11H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-10H,1-2H3
InChIKeyBWRAYPKCXCXQRM-UHFFFAOYSA-N
XLogP18.28
TPSA301.31 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001629.72
LogP ≤ 518.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze acetyloxymethyl 4-(4-methoxyphenyl)benzoate;(4-methoxyphenyl) 4-acetyloxybenzoate;(4-methoxyphenyl) 4-methoxybenzoate;[4-(4-methoxyphenyl)phenoxy]methyl acetate;methyl 4-(4-acetyloxyphenyl)benzoate;methyl 4-(4-methoxyphenyl)benzoate with MolForge

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Related Compounds

[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate
CID 166041764
2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate
CID 7807591
[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate
CID 19853406
[4-(4-methoxyphenyl)phenyl] 4-[2-(2-methylbutanoyloxy)ethoxy]benzoate;methyl 4-[4-[4-[2-(2-methylbutanoyloxy)ethoxy]benzoyl]oxyphenyl]benzoate
CID 160882435
(4-methoxycarbonylphenyl) 4-(prop-2-enoyloxymethoxy)benzoate
CID 54225786
ethyl 4-(4-acetyloxyphenyl)benzoate
CID 122206053
(4-methoxybenzoyl)oxymethyl 4-methylbenzoate
CID 134487475
[4-(4-methoxycarbonylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 59024973
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
[4-(4-methoxycarbonylphenyl)phenyl] 3,5-diacetylbenzoate
CID 54412495

Frequently Asked Questions

What is the IUPAC name of acetyloxymethyl 4-(4-methoxyphenyl)benzoate;(4-methoxyphenyl) 4-acetyloxybenzoate;(4-methoxyphenyl) 4-methoxybenzoate;[4-(4-methoxyphenyl)phenoxy]methyl acetate;methyl 4-(4-acetyloxyphenyl)benzoate;methyl 4-(4-methoxyphenyl)benzoate?
The IUPAC name of acetyloxymethyl 4-(4-methoxyphenyl)benzoate;(4-methoxyphenyl) 4-acetyloxybenzoate;(4-methoxyphenyl) 4-methoxybenzoate;[4-(4-methoxyphenyl)phenoxy]methyl acetate;methyl 4-(4-acetyloxyphenyl)benzoate;methyl 4-(4-methoxyphenyl)benzoate (CID 157485537) is acetyloxymethyl 4-(4-methoxyphenyl)benzoate;(4-methoxyphenyl) 4-acetyloxybenzoate;(4-methoxyphenyl) 4-methoxybenzoate;[4-(4-methoxyphenyl)phenoxy]methyl acetate;methyl 4-(4-acetyloxyphenyl)benzoate;methyl 4-(4-methoxyphenyl)benzoate.
What is the SMILES notation for acetyloxymethyl 4-(4-methoxyphenyl)benzoate;(4-methoxyphenyl) 4-acetyloxybenzoate;(4-methoxyphenyl) 4-methoxybenzoate;[4-(4-methoxyphenyl)phenoxy]methyl acetate;methyl 4-(4-acetyloxyphenyl)benzoate;methyl 4-(4-methoxyphenyl)benzoate?
The canonical SMILES for acetyloxymethyl 4-(4-methoxyphenyl)benzoate;(4-methoxyphenyl) 4-acetyloxybenzoate;(4-methoxyphenyl) 4-methoxybenzoate;[4-(4-methoxyphenyl)phenoxy]methyl acetate;methyl 4-(4-acetyloxyphenyl)benzoate;methyl 4-(4-methoxyphenyl)benzoate is COC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1.COC(=O)c1ccc(-c2ccc(OC)cc2)cc1.COc1ccc(-c2ccc(C(=O)OCOC(C)=O)cc2)cc1.COc1ccc(-c2ccc(OCOC(C)=O)cc2)cc1.COc1ccc(OC(=O)c2ccc(OC(C)=O)cc2)cc1.COc1ccc(OC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of acetyloxymethyl 4-(4-methoxyphenyl)benzoate;(4-methoxyphenyl) 4-acetyloxybenzoate;(4-methoxyphenyl) 4-methoxybenzoate;[4-(4-methoxyphenyl)phenoxy]methyl acetate;methyl 4-(4-acetyloxyphenyl)benzoate;methyl 4-(4-methoxyphenyl)benzoate?
The InChIKey is BWRAYPKCXCXQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5.C16H14O5.C16H16O4.C16H14O4.C15H14O4.C15H14O3/c1-12(18)21-11-22-17(19)15-5-3-13(4-6-15)14-7-9-16(20-2)10-8-14;1-11(17)20-14-5-3-12(4-6-14)16(18)21-15-9-7-13(19-2)8-10-15;1-12(17)19-11-20-16-9-5-14(6-10-16)13-3-7-15(18-2)8-4-13;1-11(17)20-15-9-7-13(8-10-15)12-3-5-14(6-4-12)16(18)19-2;1-17-12-5-3-11(4-6-12)15(16)19-14-9-7-13(18-2)8-10-14;1-17-14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(16)18-2/h3-10H,11H2,1-2H3;3-10H,1-2H3;3-10H,11H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-10H,1-2H3.
What are the key properties of acetyloxymethyl 4-(4-methoxyphenyl)benzoate;(4-methoxyphenyl) 4-acetyloxybenzoate;(4-methoxyphenyl) 4-methoxybenzoate;[4-(4-methoxyphenyl)phenoxy]methyl acetate;methyl 4-(4-acetyloxyphenyl)benzoate;methyl 4-(4-methoxyphenyl)benzoate?
acetyloxymethyl 4-(4-methoxyphenyl)benzoate;(4-methoxyphenyl) 4-acetyloxybenzoate;(4-methoxyphenyl) 4-methoxybenzoate;[4-(4-methoxyphenyl)phenoxy]methyl acetate;methyl 4-(4-acetyloxyphenyl)benzoate;methyl 4-(4-methoxyphenyl)benzoate has a molecular weight of 1629.72 g/mol, XLogP of 18.28, 24 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethyl 4-(4-methoxyphenyl)benzoate;(4-methoxyphenyl) 4-acetyloxybenzoate;(4-methoxyphenyl) 4-methoxybenzoate;[4-(4-methoxyphenyl)phenoxy]methyl acetate;methyl 4-(4-acetyloxyphenyl)benzoate;methyl 4-(4-methoxyphenyl)benzoate is sourced from PubChem (CID 157485537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).