benzyl 2-(4-benzoylphenoxy)acetate

C22H18O4 — CID 7839644

IUPACbenzyl 2-(4-benzoylphenoxy)acetate
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)OCc1ccccc1
InChIInChI=1S/C22H18O4/c23-21(26-15-17-7-3-1-4-8-17)16-25-20-13-11-19(12-14-20)22(24)18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKeyAHPQKXALFFFWHA-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.04
Rot. Bonds7

About benzyl 2-(4-benzoylphenoxy)acetate

benzyl 2-(4-benzoylphenoxy)acetate (PubChem CID 7839644) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is benzyl 2-(4-benzoylphenoxy)acetate.

Molecular Properties

Compound Namebenzyl 2-(4-benzoylphenoxy)acetate
PubChem CID7839644
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Namebenzyl 2-(4-benzoylphenoxy)acetate
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)OCc1ccccc1
InChIInChI=1S/C22H18O4/c23-21(26-15-17-7-3-1-4-8-17)16-25-20-13-11-19(12-14-20)22(24)18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKeyAHPQKXALFFFWHA-UHFFFAOYSA-N
XLogP4.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate
CID 67246007
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107
benzyl 2-(4-iodophenoxy)acetate
CID 70249415
cyanomethyl 2-(4-benzoylphenoxy)acetate
CID 2596653
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925584
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
ethenyl 2-(4-benzoylphenoxy)acetate
CID 154092320
CID 157442056
CID 157442056
[2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate
CID 7839590
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
phenylmethoxymethyl 2-(4-aminophenoxy)acetate
CID 102940304

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-benzoylphenoxy)acetate?
The IUPAC name of benzyl 2-(4-benzoylphenoxy)acetate (CID 7839644) is benzyl 2-(4-benzoylphenoxy)acetate.
What is the SMILES notation for benzyl 2-(4-benzoylphenoxy)acetate?
The canonical SMILES for benzyl 2-(4-benzoylphenoxy)acetate is O=C(COc1ccc(C(=O)c2ccccc2)cc1)OCc1ccccc1.
What is the InChIKey of benzyl 2-(4-benzoylphenoxy)acetate?
The InChIKey is AHPQKXALFFFWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c23-21(26-15-17-7-3-1-4-8-17)16-25-20-13-11-19(12-14-20)22(24)18-9-5-2-6-10-18/h1-14H,15-16H2.
What are the key properties of benzyl 2-(4-benzoylphenoxy)acetate?
benzyl 2-(4-benzoylphenoxy)acetate has a molecular weight of 346.38 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-benzoylphenoxy)acetate is sourced from PubChem (CID 7839644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).