ethyl 4-[(3-acetylphenoxy)methyl]benzoate

C18H18O4 — CID 925874

IUPACethyl 4-[(3-acetylphenoxy)methyl]benzoate
SMILESCCOC(=O)c1ccc(COc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H18O4/c1-3-21-18(20)15-9-7-14(8-10-15)12-22-17-6-4-5-16(11-17)13(2)19/h4-11H,3,12H2,1-2H3
InChIKeyYOPXHHUZMZWBRD-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.64
Rot. Bonds6

About ethyl 4-[(3-acetylphenoxy)methyl]benzoate

ethyl 4-[(3-acetylphenoxy)methyl]benzoate (PubChem CID 925874) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 4-[(3-acetylphenoxy)methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(3-acetylphenoxy)methyl]benzoate
PubChem CID925874
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Nameethyl 4-[(3-acetylphenoxy)methyl]benzoate
SMILESCCOC(=O)c1ccc(COc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H18O4/c1-3-21-18(20)15-9-7-14(8-10-15)12-22-17-6-4-5-16(11-17)13(2)19/h4-11H,3,12H2,1-2H3
InChIKeyYOPXHHUZMZWBRD-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

(3-acetylphenyl) 4-[(3-methylphenoxy)methyl]benzoate
CID 126187584
2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid
CID 105344808
1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone
CID 39205554
ethyl 3-acetylbenzoate
CID 11298463
[2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7239796
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 4-[(4-aminophenoxy)methyl]benzoate
CID 39109130
ethyl 3-[(4-acetyl-3-cyanophenoxy)methyl]benzoate
CID 91863706
ethyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 82312048
(3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126184010
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate
CID 70527588

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-acetylphenoxy)methyl]benzoate?
The IUPAC name of ethyl 4-[(3-acetylphenoxy)methyl]benzoate (CID 925874) is ethyl 4-[(3-acetylphenoxy)methyl]benzoate.
What is the SMILES notation for ethyl 4-[(3-acetylphenoxy)methyl]benzoate?
The canonical SMILES for ethyl 4-[(3-acetylphenoxy)methyl]benzoate is CCOC(=O)c1ccc(COc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of ethyl 4-[(3-acetylphenoxy)methyl]benzoate?
The InChIKey is YOPXHHUZMZWBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-3-21-18(20)15-9-7-14(8-10-15)12-22-17-6-4-5-16(11-17)13(2)19/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 4-[(3-acetylphenoxy)methyl]benzoate?
ethyl 4-[(3-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-[(3-acetylphenoxy)methyl]benzoate is sourced from PubChem (CID 925874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).