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

C18H18O4 — CID 82312048

IUPACethyl 4-[(2-acetylphenoxy)methyl]benzoate
SMILESCCOC(=O)c1ccc(COc2ccccc2C(C)=O)cc1
InChIInChI=1S/C18H18O4/c1-3-21-18(20)15-10-8-14(9-11-15)12-22-17-7-5-4-6-16(17)13(2)19/h4-11H,3,12H2,1-2H3
InChIKeyYCQFULGHONRBSJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.64
Rot. Bonds6

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

ethyl 4-[(2-acetylphenoxy)methyl]benzoate (PubChem CID 82312048) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 4-[(2-acetylphenoxy)methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-acetylphenoxy)methyl]benzoate
PubChem CID82312048
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Nameethyl 4-[(2-acetylphenoxy)methyl]benzoate
SMILESCCOC(=O)c1ccc(COc2ccccc2C(C)=O)cc1
InChIInChI=1S/C18H18O4/c1-3-21-18(20)15-10-8-14(9-11-15)12-22-17-7-5-4-6-16(17)13(2)19/h4-11H,3,12H2,1-2H3
InChIKeyYCQFULGHONRBSJ-UHFFFAOYSA-N
XLogP3.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 9172369
ethyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186194
methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate
CID 59575964
ethyl 4-[(2-formylphenoxy)methyl]benzoate
CID 87464157
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
N-[4-[(2-acetylphenoxy)methyl]phenyl]acetamide
CID 129038120
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
ethyl 4-[(3-acetylphenoxy)methyl]benzoate
CID 925874
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone
CID 20716241
ethyl 6-acetyl-2-methyl-3-phenylmethoxybenzoate
CID 91864126

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-acetylphenoxy)methyl]benzoate?
The IUPAC name of ethyl 4-[(2-acetylphenoxy)methyl]benzoate (CID 82312048) is ethyl 4-[(2-acetylphenoxy)methyl]benzoate.
What is the SMILES notation for ethyl 4-[(2-acetylphenoxy)methyl]benzoate?
The canonical SMILES for ethyl 4-[(2-acetylphenoxy)methyl]benzoate is CCOC(=O)c1ccc(COc2ccccc2C(C)=O)cc1.
What is the InChIKey of ethyl 4-[(2-acetylphenoxy)methyl]benzoate?
The InChIKey is YCQFULGHONRBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-3-21-18(20)15-10-8-14(9-11-15)12-22-17-7-5-4-6-16(17)13(2)19/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 4-[(2-acetylphenoxy)methyl]benzoate?
ethyl 4-[(2-acetylphenoxy)methyl]benzoate has a molecular weight of 298.34 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-acetylphenoxy)methyl]benzoate is sourced from PubChem (CID 82312048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).