(4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate

C24H22O4 — CID 19179632

IUPAC(4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)Oc2ccc(C(=O)c3ccccc3)cc2C)cc1
InChIInChI=1S/C24H22O4/c1-3-18-9-12-21(13-10-18)27-16-23(25)28-22-14-11-20(15-17(22)2)24(26)19-7-5-4-6-8-19/h4-15H,3,16H2,1-2H3
InChIKeyGGXYXCWRYXKPOH-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.77
Rot. Bonds7

About (4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate

(4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate (PubChem CID 19179632) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name(4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate
PubChem CID19179632
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name(4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)Oc2ccc(C(=O)c3ccccc3)cc2C)cc1
InChIInChI=1S/C24H22O4/c1-3-18-9-12-21(13-10-18)27-16-23(25)28-22-14-11-20(15-17(22)2)24(26)19-7-5-4-6-8-19/h4-15H,3,16H2,1-2H3
InChIKeyGGXYXCWRYXKPOH-UHFFFAOYSA-N
XLogP4.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.77
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-benzoyl-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate
CID 19179774
(2-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19178987
phenyl 2-(4-ethylphenoxy)acetate
CID 19178986
(4-benzoyl-2-methylphenyl) 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetate
CID 19205830
methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate
CID 8001541
(4-benzoyl-2-methylphenyl) (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 19181764
(4-chloro-3-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19178993
(4-benzoylphenyl) 2-[4-(4-methylphenoxy)phenoxy]acetate
CID 23828217
benzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate
CID 19179629
naphthalen-2-yl 2-(4-benzoylphenoxy)acetate
CID 7926828
(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate
CID 55316789
[2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate
CID 7839590

Frequently Asked Questions

What is the IUPAC name of (4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate?
The IUPAC name of (4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate (CID 19179632) is (4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for (4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate?
The canonical SMILES for (4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)Oc2ccc(C(=O)c3ccccc3)cc2C)cc1.
What is the InChIKey of (4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate?
The InChIKey is GGXYXCWRYXKPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c1-3-18-9-12-21(13-10-18)27-16-23(25)28-22-14-11-20(15-17(22)2)24(26)19-7-5-4-6-8-19/h4-15H,3,16H2,1-2H3.
What are the key properties of (4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate?
(4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate has a molecular weight of 374.44 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 19179632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).