(2-acetyl-5-phenylmethoxyphenyl) benzoate

C22H18O4 — CID 4189871

IUPAC(2-acetyl-5-phenylmethoxyphenyl) benzoate
SMILESCC(=O)c1ccc(OCc2ccccc2)cc1OC(=O)c1ccccc1
InChIInChI=1S/C22H18O4/c1-16(23)20-13-12-19(25-15-17-8-4-2-5-9-17)14-21(20)26-22(24)18-10-6-3-7-11-18/h2-14H,15H2,1H3
InChIKeyPGLMDNORPORIJZ-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.69
Rot. Bonds6

About (2-acetyl-5-phenylmethoxyphenyl) benzoate

(2-acetyl-5-phenylmethoxyphenyl) benzoate (PubChem CID 4189871) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is (2-acetyl-5-phenylmethoxyphenyl) benzoate.

Molecular Properties

Compound Name(2-acetyl-5-phenylmethoxyphenyl) benzoate
PubChem CID4189871
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name(2-acetyl-5-phenylmethoxyphenyl) benzoate
SMILESCC(=O)c1ccc(OCc2ccccc2)cc1OC(=O)c1ccccc1
InChIInChI=1S/C22H18O4/c1-16(23)20-13-12-19(25-15-17-8-4-2-5-9-17)14-21(20)26-22(24)18-10-6-3-7-11-18/h2-14H,15H2,1H3
InChIKeyPGLMDNORPORIJZ-UHFFFAOYSA-N
XLogP4.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.69
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

1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
3-[(4-acetyl-3-methoxyphenoxy)methyl]benzoic acid
CID 91863937
1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone
CID 147786681
1-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863953
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
[5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate
CID 21410801
[4-methyl-2-(4-phenylmethoxybenzoyl)oxyphenyl] 4-phenylmethoxybenzoate
CID 58741237
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone
CID 91863947
2,4-bis(phenylmethoxy)-1-prop-1-en-2-ylbenzene
CID 24773359
(2-acetylphenyl) 4-(2-phenylethoxy)benzoate
CID 23012287

Frequently Asked Questions

What is the IUPAC name of (2-acetyl-5-phenylmethoxyphenyl) benzoate?
The IUPAC name of (2-acetyl-5-phenylmethoxyphenyl) benzoate (CID 4189871) is (2-acetyl-5-phenylmethoxyphenyl) benzoate.
What is the SMILES notation for (2-acetyl-5-phenylmethoxyphenyl) benzoate?
The canonical SMILES for (2-acetyl-5-phenylmethoxyphenyl) benzoate is CC(=O)c1ccc(OCc2ccccc2)cc1OC(=O)c1ccccc1.
What is the InChIKey of (2-acetyl-5-phenylmethoxyphenyl) benzoate?
The InChIKey is PGLMDNORPORIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c1-16(23)20-13-12-19(25-15-17-8-4-2-5-9-17)14-21(20)26-22(24)18-10-6-3-7-11-18/h2-14H,15H2,1H3.
What are the key properties of (2-acetyl-5-phenylmethoxyphenyl) benzoate?
(2-acetyl-5-phenylmethoxyphenyl) benzoate has a molecular weight of 346.38 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyl-5-phenylmethoxyphenyl) benzoate is sourced from PubChem (CID 4189871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).