methyl 4-[(2-acetylphenoxy)methyl]benzoate

C17H16O4 — CID 9172369

IUPACmethyl 4-[(2-acetylphenoxy)methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccccc2C(C)=O)cc1
InChIInChI=1S/C17H16O4/c1-12(18)15-5-3-4-6-16(15)21-11-13-7-9-14(10-8-13)17(19)20-2/h3-10H,11H2,1-2H3
InChIKeyWDDRGRGIKGRZSX-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.25
Rot. Bonds5

About methyl 4-[(2-acetylphenoxy)methyl]benzoate

methyl 4-[(2-acetylphenoxy)methyl]benzoate (PubChem CID 9172369) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 4-[(2-acetylphenoxy)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-acetylphenoxy)methyl]benzoate
PubChem CID9172369
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Namemethyl 4-[(2-acetylphenoxy)methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccccc2C(C)=O)cc1
InChIInChI=1S/C17H16O4/c1-12(18)15-5-3-4-6-16(15)21-11-13-7-9-14(10-8-13)17(19)20-2/h3-10H,11H2,1-2H3
InChIKeyWDDRGRGIKGRZSX-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate
CID 59575964
ethyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 82312048
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
CID 4946351
methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
CID 7981645
N-[4-[(2-acetylphenoxy)methyl]phenyl]acetamide
CID 129038120
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
(4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 2379646
1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788
methyl 4-[[3-aminopropyl-(2-phenylmethoxybenzoyl)amino]methyl]benzoate
CID 143404942

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-acetylphenoxy)methyl]benzoate?
The IUPAC name of methyl 4-[(2-acetylphenoxy)methyl]benzoate (CID 9172369) is methyl 4-[(2-acetylphenoxy)methyl]benzoate.
What is the SMILES notation for methyl 4-[(2-acetylphenoxy)methyl]benzoate?
The canonical SMILES for methyl 4-[(2-acetylphenoxy)methyl]benzoate is COC(=O)c1ccc(COc2ccccc2C(C)=O)cc1.
What is the InChIKey of methyl 4-[(2-acetylphenoxy)methyl]benzoate?
The InChIKey is WDDRGRGIKGRZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-12(18)15-5-3-4-6-16(15)21-11-13-7-9-14(10-8-13)17(19)20-2/h3-10H,11H2,1-2H3.
What are the key properties of methyl 4-[(2-acetylphenoxy)methyl]benzoate?
methyl 4-[(2-acetylphenoxy)methyl]benzoate has a molecular weight of 284.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-acetylphenoxy)methyl]benzoate is sourced from PubChem (CID 9172369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).