(4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate

C20H14Cl2O3 — CID 7961913

IUPAC(4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1Cl)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H14Cl2O3/c21-15-7-6-14(19(22)13-15)12-20(23)25-18-10-8-17(9-11-18)24-16-4-2-1-3-5-16/h1-11,13H,12H2
InChIKeyHDRNSYPBODPUNO-UHFFFAOYSA-N
MW373.24 g/mol
LogP5.93
Rot. Bonds5

About (4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate

(4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate (PubChem CID 7961913) has the molecular formula C20H14Cl2O3 and a molecular weight of 373.24 g/mol. Its IUPAC name is (4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name(4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate
PubChem CID7961913
Molecular FormulaC20H14Cl2O3
Molecular Weight373.24 g/mol
Exact Mass372.03
IUPAC Name(4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1Cl)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H14Cl2O3/c21-15-7-6-14(19(22)13-15)12-20(23)25-18-10-8-17(9-11-18)24-16-4-2-1-3-5-16/h1-11,13H,12H2
InChIKeyHDRNSYPBODPUNO-UHFFFAOYSA-N
XLogP5.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

fluoro 2-(2,4-dichlorophenyl)acetate
CID 144704595
(4-phenoxyphenyl) 3-aminopropanoate
CID 94272044
[4-(2,4-dichlorophenoxy)phenyl] propanoate
CID 67553768
[[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate
CID 146175960
phenyl 2-[4-(4-propan-2-ylphenoxy)phenyl]acetate
CID 158472100
3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid
CID 133245608
[2-(2,5-dichlorophenyl)phenyl]-(4-phenoxyphenyl)methanone
CID 139963055
phenyl 2-(3-chlorophenoxy)acetate
CID 19179107
(3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate
CID 144993627
1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one
CID 106865437
1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one
CID 157438044
phenyl 2-phenylacetate;zinc
CID 70522084

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate?
The IUPAC name of (4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate (CID 7961913) is (4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for (4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for (4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate is O=C(Cc1ccc(Cl)cc1Cl)Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate?
The InChIKey is HDRNSYPBODPUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2O3/c21-15-7-6-14(19(22)13-15)12-20(23)25-18-10-8-17(9-11-18)24-16-4-2-1-3-5-16/h1-11,13H,12H2.
What are the key properties of (4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate?
(4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate has a molecular weight of 373.24 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate is sourced from PubChem (CID 7961913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).