[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate

C23H19ClO4 — CID 4205916

IUPAC[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OC(C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClO4/c1-16-7-5-6-10-20(16)27-15-21(25)28-23(18-11-13-19(24)14-12-18)22(26)17-8-3-2-4-9-17/h2-14,23H,15H2,1H3
InChIKeyRLGWUJQRYWQMRR-UHFFFAOYSA-N
MW394.85 g/mol
LogP5.19
Rot. Bonds7

About [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate

[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate (PubChem CID 4205916) has the molecular formula C23H19ClO4 and a molecular weight of 394.85 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate
PubChem CID4205916
Molecular FormulaC23H19ClO4
Molecular Weight394.85 g/mol
Exact Mass394.10
IUPAC Name[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OC(C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClO4/c1-16-7-5-6-10-20(16)27-15-21(25)28-23(18-11-13-19(24)14-12-18)22(26)17-8-3-2-4-9-17/h2-14,23H,15H2,1H3
InChIKeyRLGWUJQRYWQMRR-UHFFFAOYSA-N
XLogP5.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.85
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate with MolForge

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Related Compounds

(2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate
CID 2912459
(2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate
CID 3488846
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate
CID 5023536
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate
CID 40579917
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-methoxybenzoate
CID 3276868
(2-oxo-1,2-diphenylethyl) 3-acetamido-3-(4-chlorophenyl)propanoate
CID 43030545
(2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 55327013
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 126190062
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate
CID 3675096
(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate
CID 19172654
bis[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] benzene-1,3-dicarboxylate
CID 126186651
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 126187299

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate (CID 4205916) is [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OC(C(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is RLGWUJQRYWQMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClO4/c1-16-7-5-6-10-20(16)27-15-21(25)28-23(18-11-13-19(24)14-12-18)22(26)17-8-3-2-4-9-17/h2-14,23H,15H2,1H3.
What are the key properties of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate?
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 394.85 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 4205916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).