(2-phenylphenyl) 2-(2,4-dichlorophenoxy)propanoate

C21H16Cl2O3 — CID 5132918

IUPAC(2-phenylphenyl) 2-(2,4-dichlorophenoxy)propanoate
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C21H16Cl2O3/c1-14(25-20-12-11-16(22)13-18(20)23)21(24)26-19-10-6-5-9-17(19)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyQQHHQHZCQIIRDA-UHFFFAOYSA-N
MW387.26 g/mol
LogP6.03
Rot. Bonds5

About (2-phenylphenyl) 2-(2,4-dichlorophenoxy)propanoate

(2-phenylphenyl) 2-(2,4-dichlorophenoxy)propanoate (PubChem CID 5132918) has the molecular formula C21H16Cl2O3 and a molecular weight of 387.26 g/mol. Its IUPAC name is (2-phenylphenyl) 2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name(2-phenylphenyl) 2-(2,4-dichlorophenoxy)propanoate
PubChem CID5132918
Molecular FormulaC21H16Cl2O3
Molecular Weight387.26 g/mol
Exact Mass386.05
IUPAC Name(2-phenylphenyl) 2-(2,4-dichlorophenoxy)propanoate
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C21H16Cl2O3/c1-14(25-20-12-11-16(22)13-18(20)23)21(24)26-19-10-6-5-9-17(19)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyQQHHQHZCQIIRDA-UHFFFAOYSA-N
XLogP6.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.26
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-phenylphenyl) 2-(2,4-dichlorophenoxy)propanoate 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

5-chloro-2-[2-(2,4-dichlorophenoxy)propanoyloxy]benzoic acid
CID 54855091
(2-nitrophenyl) (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 1013718
(2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate
CID 4876645
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 1336816
(2-methoxyphenyl) 2-(2,4,5-trichlorophenoxy)propanoate
CID 3641966
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
(2-amino-2-oxoethyl) (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862593
[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-(2,4-dichlorophenoxy)propanoate
CID 21001547
[2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862401

Frequently Asked Questions

What is the IUPAC name of (2-phenylphenyl) 2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of (2-phenylphenyl) 2-(2,4-dichlorophenoxy)propanoate (CID 5132918) is (2-phenylphenyl) 2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for (2-phenylphenyl) 2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for (2-phenylphenyl) 2-(2,4-dichlorophenoxy)propanoate is CC(Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccccc1-c1ccccc1.
What is the InChIKey of (2-phenylphenyl) 2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is QQHHQHZCQIIRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2O3/c1-14(25-20-12-11-16(22)13-18(20)23)21(24)26-19-10-6-5-9-17(19)15-7-3-2-4-8-15/h2-14H,1H3.
What are the key properties of (2-phenylphenyl) 2-(2,4-dichlorophenoxy)propanoate?
(2-phenylphenyl) 2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 387.26 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl) 2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 5132918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).