[5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate

C23H20O5 — CID 21410801

IUPAC[5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate
SMILESCOCOc1ccc(C(=O)Cc2ccccc2)c(OC(=O)c2ccccc2)c1
InChIInChI=1S/C23H20O5/c1-26-16-27-19-12-13-20(21(24)14-17-8-4-2-5-9-17)22(15-19)28-23(25)18-10-6-3-7-11-18/h2-13,15H,14,16H2,1H3
InChIKeyUJRKDMABWJKTLT-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.31
Rot. Bonds8

About [5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate

[5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate (PubChem CID 21410801) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is [5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate.

Molecular Properties

Compound Name[5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate
PubChem CID21410801
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Name[5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate
SMILESCOCOc1ccc(C(=O)Cc2ccccc2)c(OC(=O)c2ccccc2)c1
InChIInChI=1S/C23H20O5/c1-26-16-27-19-12-13-20(21(24)14-17-8-4-2-5-9-17)22(15-19)28-23(25)18-10-6-3-7-11-18/h2-13,15H,14,16H2,1H3
InChIKeyUJRKDMABWJKTLT-UHFFFAOYSA-N
XLogP4.31
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-acetyl-5-phenylmethoxyphenyl) benzoate
CID 4189871
[5-methoxy-2-(2-phenylacetyl)phenyl] acetate
CID 12582102
1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428
[2-[2-[4-(methoxymethoxy)-2-phenylmethoxyphenyl]-2-oxoethoxy]-4-phenylmethoxyphenyl]methyl-triphenylphosphanium
CID 25138447
[5-tert-butyl-2-(methoxymethoxy)phenyl] benzoate
CID 71511931
1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone
CID 54405970
[4-(phenoxymethoxy)phenyl] benzoate
CID 20724331
methoxymethyl 4-(methoxymethoxy)benzoate
CID 142723008
(5-bromo-2-butanoylphenyl) benzoate
CID 141249988
(3-benzoyloxy-4-chlorophenyl) benzoate
CID 102086549
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
CID 15228893
1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone
CID 54179065

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate?
The IUPAC name of [5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate (CID 21410801) is [5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate.
What is the SMILES notation for [5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate?
The canonical SMILES for [5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate is COCOc1ccc(C(=O)Cc2ccccc2)c(OC(=O)c2ccccc2)c1.
What is the InChIKey of [5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate?
The InChIKey is UJRKDMABWJKTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O5/c1-26-16-27-19-12-13-20(21(24)14-17-8-4-2-5-9-17)22(15-19)28-23(25)18-10-6-3-7-11-18/h2-13,15H,14,16H2,1H3.
What are the key properties of [5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate?
[5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate has a molecular weight of 376.41 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate is sourced from PubChem (CID 21410801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).