(2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate

C17H16Cl2O4 — CID 4876645

IUPAC(2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate
SMILESCOc1cc(C)ccc1OC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2O4/c1-10-4-6-15(16(8-10)21-3)23-17(20)11(2)22-14-7-5-12(18)9-13(14)19/h4-9,11H,1-3H3
InChIKeyYSGZHQYHDRDVGC-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.68
Rot. Bonds5

About (2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate

(2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate (PubChem CID 4876645) has the molecular formula C17H16Cl2O4 and a molecular weight of 355.22 g/mol. Its IUPAC name is (2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name(2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate
PubChem CID4876645
Molecular FormulaC17H16Cl2O4
Molecular Weight355.22 g/mol
Exact Mass354.04
IUPAC Name(2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate
SMILESCOc1cc(C)ccc1OC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2O4/c1-10-4-6-15(16(8-10)21-3)23-17(20)11(2)22-14-7-5-12(18)9-13(14)19/h4-9,11H,1-3H3
InChIKeyYSGZHQYHDRDVGC-UHFFFAOYSA-N
XLogP4.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.68
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

(2R)-2-(2,4-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2083484
5-chloro-2-[2-(2,4-dichlorophenoxy)propanoyloxy]benzoic acid
CID 54855091
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
(2-phenylphenyl) 2-(2,4-dichlorophenoxy)propanoate
CID 5132918
(2-methoxyphenyl) 2-(2,4,5-trichlorophenoxy)propanoate
CID 3641966
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
(2-nitrophenyl) (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 1013718
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
(2-amino-2-oxoethyl) (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862593
azanium 2-(2,4-dichlorophenoxy)propanoate
CID 21219600
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872946

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of (2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate (CID 4876645) is (2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for (2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for (2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate is COc1cc(C)ccc1OC(=O)C(C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is YSGZHQYHDRDVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O4/c1-10-4-6-15(16(8-10)21-3)23-17(20)11(2)22-14-7-5-12(18)9-13(14)19/h4-9,11H,1-3H3.
What are the key properties of (2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate?
(2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 355.22 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 4876645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).