(4-acetylphenyl) 2-(2-chlorophenoxy)acetate

C16H13ClO4 — CID 968975

IUPAC(4-acetylphenyl) 2-(2-chlorophenoxy)acetate
SMILESCC(=O)c1ccc(OC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C16H13ClO4/c1-11(18)12-6-8-13(9-7-12)21-16(19)10-20-15-5-3-2-4-14(15)17/h2-9H,10H2,1H3
InChIKeyXCVRUDXXOGYDQR-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.53
Rot. Bonds5

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

(4-acetylphenyl) 2-(2-chlorophenoxy)acetate (PubChem CID 968975) has the molecular formula C16H13ClO4 and a molecular weight of 304.73 g/mol. Its IUPAC name is (4-acetylphenyl) 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name(4-acetylphenyl) 2-(2-chlorophenoxy)acetate
PubChem CID968975
Molecular FormulaC16H13ClO4
Molecular Weight304.73 g/mol
Exact Mass304.05
IUPAC Name(4-acetylphenyl) 2-(2-chlorophenoxy)acetate
SMILESCC(=O)c1ccc(OC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C16H13ClO4/c1-11(18)12-6-8-13(9-7-12)21-16(19)10-20-15-5-3-2-4-14(15)17/h2-9H,10H2,1H3
InChIKeyXCVRUDXXOGYDQR-UHFFFAOYSA-N
XLogP3.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-acetylphenyl) 2-(2-chlorophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethacrynic Acid
CID 3278
Fenofibrate
CID 3339
Fenofibric Acid
CID 64929
Sodium Ethacrynate
CID 23668825
Methyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropanoate
CID 3038933
1-(4-((4-Chlorobenzyl)oxy)phenyl)ethanone
CID 580653
4-(4-Chlorobenzoyl)phenyl 2,2-dimethylpropanoate
CID 14010407
Acetic acid, [2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-, methyl ester
CID 621564
3'-Chloro-4'-methoxyacetophenone
CID 520857
[4-[3-(3,4-Dichlorophenyl)-1-oxo-2-propenyl]phenoxy]-acetic acid
CID 7067864
1-{4-[(3-Chlorobenzyl)oxy]phenyl}ethanone
CID 13340061
(S)-3-{4-[3-(4-Benzoyl-phenoxy)-propoxy]-3-chloro-phenyl}-2-methoxy-propionic acid
CID 44392315

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) 2-(2-chlorophenoxy)acetate?
The IUPAC name of (4-acetylphenyl) 2-(2-chlorophenoxy)acetate (CID 968975) is (4-acetylphenyl) 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for (4-acetylphenyl) 2-(2-chlorophenoxy)acetate?
The canonical SMILES for (4-acetylphenyl) 2-(2-chlorophenoxy)acetate is CC(=O)c1ccc(OC(=O)COc2ccccc2Cl)cc1.
What is the InChIKey of (4-acetylphenyl) 2-(2-chlorophenoxy)acetate?
The InChIKey is XCVRUDXXOGYDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO4/c1-11(18)12-6-8-13(9-7-12)21-16(19)10-20-15-5-3-2-4-14(15)17/h2-9H,10H2,1H3.
What are the key properties of (4-acetylphenyl) 2-(2-chlorophenoxy)acetate?
(4-acetylphenyl) 2-(2-chlorophenoxy)acetate has a molecular weight of 304.73 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 968975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).