(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate

C15H12Cl2O4 — CID 914130

IUPAC(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
SMILESCOc1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2O4/c1-19-11-3-5-12(6-4-11)21-15(18)9-20-14-7-2-10(16)8-13(14)17/h2-8H,9H2,1H3
InChIKeyBKIZWZKIVPPJPF-UHFFFAOYSA-N
MW327.16 g/mol
LogP3.99
Rot. Bonds5

About (4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate

(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate (PubChem CID 914130) has the molecular formula C15H12Cl2O4 and a molecular weight of 327.16 g/mol. Its IUPAC name is (4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
PubChem CID914130
Molecular FormulaC15H12Cl2O4
Molecular Weight327.16 g/mol
Exact Mass326.01
IUPAC Name(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
SMILESCOc1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2O4/c1-19-11-3-5-12(6-4-11)21-15(18)9-20-14-7-2-10(16)8-13(14)17/h2-8H,9H2,1H3
InChIKeyBKIZWZKIVPPJPF-UHFFFAOYSA-N
XLogP3.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 53.99
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

propan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate
CID 17160841
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,4-dichlorophenoxy)acetate
CID 19179674
[[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid
CID 11408071
[4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 2-(2,4-dichlorophenoxy)acetate
CID 175220650
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
(4-chloro-3-methylphenyl) 2-(4-chloro-2-methylphenoxy)acetate
CID 917935
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132657832
(4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate
CID 19179126
butyl 2-(2,4-dichlorophenoxy)acetate
CID 7206
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113
carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate
CID 16657721
(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate
CID 57171249

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of (4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate (CID 914130) is (4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for (4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for (4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate is COc1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is BKIZWZKIVPPJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O4/c1-19-11-3-5-12(6-4-11)21-15(18)9-20-14-7-2-10(16)8-13(14)17/h2-8H,9H2,1H3.
What are the key properties of (4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate?
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 327.16 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 914130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).