methyl 2-[2-(2-phenoxyacetyl)phenyl]acetate

C17H16O4 — CID 170143347

IUPACmethyl 2-[2-(2-phenoxyacetyl)phenyl]acetate
SMILESCOC(=O)Cc1ccccc1C(=O)COc1ccccc1
InChIInChI=1S/C17H16O4/c1-20-17(19)11-13-7-5-6-10-15(13)16(18)12-21-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
InChIKeyDNIMIHCJUROYKM-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.66
Rot. Bonds6

About methyl 2-[2-(2-phenoxyacetyl)phenyl]acetate

methyl 2-[2-(2-phenoxyacetyl)phenyl]acetate (PubChem CID 170143347) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 2-[2-(2-phenoxyacetyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-phenoxyacetyl)phenyl]acetate
PubChem CID170143347
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Namemethyl 2-[2-(2-phenoxyacetyl)phenyl]acetate
SMILESCOC(=O)Cc1ccccc1C(=O)COc1ccccc1
InChIInChI=1S/C17H16O4/c1-20-17(19)11-13-7-5-6-10-15(13)16(18)12-21-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
InChIKeyDNIMIHCJUROYKM-UHFFFAOYSA-N
XLogP2.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(2-methylsulfonyloxyacetyl)phenyl]acetate
CID 11312187
bis(methyl 2-phenoxyacetate);hexakis(methyl 2-phenylacetate);bis(2-phenylacetic acid)
CID 174488693
1-(2-hydroxy-4-methoxyphenyl)-2-phenoxyethanone
CID 12541853
methyl 2-phenoxyethaneperoxoate
CID 57363881
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
methyl 2-[2-[(E)-5-hydroxypent-2-en-3-yl]phenyl]acetate
CID 146431842
1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone
CID 106644772
methyl 2-[3-[2-(1-benzylindol-3-yl)-2-oxoethoxy]phenyl]acetate
CID 142695112
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
2-(2-methoxy-2-oxoethyl)phenolate
CID 19356399
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949326

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-phenoxyacetyl)phenyl]acetate?
The IUPAC name of methyl 2-[2-(2-phenoxyacetyl)phenyl]acetate (CID 170143347) is methyl 2-[2-(2-phenoxyacetyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-(2-phenoxyacetyl)phenyl]acetate?
The canonical SMILES for methyl 2-[2-(2-phenoxyacetyl)phenyl]acetate is COC(=O)Cc1ccccc1C(=O)COc1ccccc1.
What is the InChIKey of methyl 2-[2-(2-phenoxyacetyl)phenyl]acetate?
The InChIKey is DNIMIHCJUROYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-20-17(19)11-13-7-5-6-10-15(13)16(18)12-21-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3.
What are the key properties of methyl 2-[2-(2-phenoxyacetyl)phenyl]acetate?
methyl 2-[2-(2-phenoxyacetyl)phenyl]acetate has a molecular weight of 284.31 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-phenoxyacetyl)phenyl]acetate is sourced from PubChem (CID 170143347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).