(4-acetylphenyl) 2-(2-phenylphenoxy)acetate

C22H18O4 — CID 7741121

IUPAC(4-acetylphenyl) 2-(2-phenylphenoxy)acetate
SMILESCC(=O)c1ccc(OC(=O)COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H18O4/c1-16(23)17-11-13-19(14-12-17)26-22(24)15-25-21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-14H,15H2,1H3
InChIKeyFCCTVELUBLCXOD-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.54
Rot. Bonds6

About (4-acetylphenyl) 2-(2-phenylphenoxy)acetate

(4-acetylphenyl) 2-(2-phenylphenoxy)acetate (PubChem CID 7741121) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is (4-acetylphenyl) 2-(2-phenylphenoxy)acetate.

Molecular Properties

Compound Name(4-acetylphenyl) 2-(2-phenylphenoxy)acetate
PubChem CID7741121
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name(4-acetylphenyl) 2-(2-phenylphenoxy)acetate
SMILESCC(=O)c1ccc(OC(=O)COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H18O4/c1-16(23)17-11-13-19(14-12-17)26-22(24)15-25-21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-14H,15H2,1H3
InChIKeyFCCTVELUBLCXOD-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
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

(4-acetylphenyl) 2-(2-tert-butylphenoxy)acetate
CID 19179920
(3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate
CID 7959580
(3-acetamidophenyl) 2-(2-phenylphenoxy)acetate
CID 7937359
1-[4-(2-ethoxyphenyl)phenyl]ethanone
CID 62801533
2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate
CID 7921102
1,3-benzodioxol-5-yl 2-(2-phenylphenoxy)acetate
CID 8766460
(2-phenylphenyl) 2-(3-methylphenoxy)acetate
CID 922978
[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
CID 2180640
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
1-(2-methylprop-2-enoxy)-2-phenylbenzene
CID 70267118
(2-phenylphenyl) 4-ethoxybenzoate
CID 23011325
(4-benzoylphenyl) 2-(2-tert-butylphenoxy)acetate
CID 43910968

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) 2-(2-phenylphenoxy)acetate?
The IUPAC name of (4-acetylphenyl) 2-(2-phenylphenoxy)acetate (CID 7741121) is (4-acetylphenyl) 2-(2-phenylphenoxy)acetate.
What is the SMILES notation for (4-acetylphenyl) 2-(2-phenylphenoxy)acetate?
The canonical SMILES for (4-acetylphenyl) 2-(2-phenylphenoxy)acetate is CC(=O)c1ccc(OC(=O)COc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of (4-acetylphenyl) 2-(2-phenylphenoxy)acetate?
The InChIKey is FCCTVELUBLCXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c1-16(23)17-11-13-19(14-12-17)26-22(24)15-25-21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-14H,15H2,1H3.
What are the key properties of (4-acetylphenyl) 2-(2-phenylphenoxy)acetate?
(4-acetylphenyl) 2-(2-phenylphenoxy)acetate has a molecular weight of 346.38 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) 2-(2-phenylphenoxy)acetate is sourced from PubChem (CID 7741121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).