[5-methoxy-2-(2-phenylacetyl)phenyl] acetate

C17H16O4 — CID 12582102

IUPAC[5-methoxy-2-(2-phenylacetyl)phenyl] acetate
SMILESCOc1ccc(C(=O)Cc2ccccc2)c(OC(C)=O)c1
InChIInChI=1S/C17H16O4/c1-12(18)21-17-11-14(20-2)8-9-15(17)16(19)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3
InChIKeyXDAJNMZIBPUURI-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.05
Rot. Bonds5

About [5-methoxy-2-(2-phenylacetyl)phenyl] acetate

[5-methoxy-2-(2-phenylacetyl)phenyl] acetate (PubChem CID 12582102) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is [5-methoxy-2-(2-phenylacetyl)phenyl] acetate.

Molecular Properties

Compound Name[5-methoxy-2-(2-phenylacetyl)phenyl] acetate
PubChem CID12582102
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name[5-methoxy-2-(2-phenylacetyl)phenyl] acetate
SMILESCOc1ccc(C(=O)Cc2ccccc2)c(OC(C)=O)c1
InChIInChI=1S/C17H16O4/c1-12(18)21-17-11-14(20-2)8-9-15(17)16(19)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3
InChIKeyXDAJNMZIBPUURI-UHFFFAOYSA-N
XLogP3.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078
1-(2,4-dimethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62387371
[5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate
CID 21410801
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264
[3-acetyloxy-4-(2,4-diacetyloxybenzoyl)phenyl] acetate
CID 86176236
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
CID 15228893
1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428
(4-acetyloxyphenyl) 2,4-dimethoxybenzoate
CID 59769025
[2-(hydrazinylmethyl)-5-methoxyphenyl] acetate
CID 67761426
(3-methyl-4-prop-1-en-2-ylphenyl) acetate;2-phenylacetic acid
CID 21189086
2-(4-benzylpyridin-1-ium-1-yl)-1-(2,4-dimethoxyphenyl)ethanone
CID 4651882

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(2-phenylacetyl)phenyl] acetate?
The IUPAC name of [5-methoxy-2-(2-phenylacetyl)phenyl] acetate (CID 12582102) is [5-methoxy-2-(2-phenylacetyl)phenyl] acetate.
What is the SMILES notation for [5-methoxy-2-(2-phenylacetyl)phenyl] acetate?
The canonical SMILES for [5-methoxy-2-(2-phenylacetyl)phenyl] acetate is COc1ccc(C(=O)Cc2ccccc2)c(OC(C)=O)c1.
What is the InChIKey of [5-methoxy-2-(2-phenylacetyl)phenyl] acetate?
The InChIKey is XDAJNMZIBPUURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-12(18)21-17-11-14(20-2)8-9-15(17)16(19)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3.
What are the key properties of [5-methoxy-2-(2-phenylacetyl)phenyl] acetate?
[5-methoxy-2-(2-phenylacetyl)phenyl] acetate has a molecular weight of 284.31 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(2-phenylacetyl)phenyl] acetate is sourced from PubChem (CID 12582102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).