[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate

C24H22O6 — CID 2362107

IUPAC[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCc1ccc(COC(=O)COc2ccccc2)cc1
InChIInChI=1S/C24H22O6/c25-23(17-27-21-7-3-1-4-8-21)29-15-19-11-13-20(14-12-19)16-30-24(26)18-28-22-9-5-2-6-10-22/h1-14H,15-18H2
InChIKeyKJOHOEFDSFRCBB-UHFFFAOYSA-N
MW406.43 g/mol
LogP3.93
Rot. Bonds10

About [4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate

[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate (PubChem CID 2362107) has the molecular formula C24H22O6 and a molecular weight of 406.43 g/mol. Its IUPAC name is [4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate.

Molecular Properties

Compound Name[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
PubChem CID2362107
Molecular FormulaC24H22O6
Molecular Weight406.43 g/mol
Exact Mass406.14
IUPAC Name[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCc1ccc(COC(=O)COc2ccccc2)cc1
InChIInChI=1S/C24H22O6/c25-23(17-27-21-7-3-1-4-8-21)29-15-19-11-13-20(14-12-19)16-30-24(26)18-28-22-9-5-2-6-10-22/h1-14H,15-18H2
InChIKeyKJOHOEFDSFRCBB-UHFFFAOYSA-N
XLogP3.93
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2-(4-iodophenoxy)acetate
CID 70249415
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate
CID 67246007
bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067
benzyl 2-(1H-pyrazol-4-yloxy)acetate
CID 154815213
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-phenoxyacetate
CID 9416576
(4-methylphenyl)methyl 2-(4-aminophenoxy)acetate
CID 61321197
(4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate
CID 61321388
phenylmethoxymethyl 2-(4-aminophenoxy)acetate
CID 102940304
benzyl (2S)-2-amino-3-[4-(2-ethoxy-2-oxoethoxy)phenyl]propanoate
CID 139716314
(4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate
CID 61310068
[2-(methylamino)-2-oxoethyl] 2-phenoxyacetate
CID 7980270

Frequently Asked Questions

What is the IUPAC name of [4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate?
The IUPAC name of [4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate (CID 2362107) is [4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate.
What is the SMILES notation for [4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate?
The canonical SMILES for [4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate is O=C(COc1ccccc1)OCc1ccc(COC(=O)COc2ccccc2)cc1.
What is the InChIKey of [4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate?
The InChIKey is KJOHOEFDSFRCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O6/c25-23(17-27-21-7-3-1-4-8-21)29-15-19-11-13-20(14-12-19)16-30-24(26)18-28-22-9-5-2-6-10-22/h1-14H,15-18H2.
What are the key properties of [4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate?
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate has a molecular weight of 406.43 g/mol, XLogP of 3.93, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate is sourced from PubChem (CID 2362107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).