ethyl 3-[4-(3,5-dichlorophenoxy)phenyl]-3-ethoxypropanoate

C19H20Cl2O4 — CID 67058217

IUPACethyl 3-[4-(3,5-dichlorophenoxy)phenyl]-3-ethoxypropanoate
SMILESCCOC(=O)CC(OCC)c1ccc(Oc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C19H20Cl2O4/c1-3-23-18(12-19(22)24-4-2)13-5-7-16(8-6-13)25-17-10-14(20)9-15(21)11-17/h5-11,18H,3-4,12H2,1-2H3
InChIKeyDGSOGYOVFVRYQT-UHFFFAOYSA-N
MW383.27 g/mol
LogP5.82
Rot. Bonds8

About ethyl 3-[4-(3,5-dichlorophenoxy)phenyl]-3-ethoxypropanoate

ethyl 3-[4-(3,5-dichlorophenoxy)phenyl]-3-ethoxypropanoate (PubChem CID 67058217) has the molecular formula C19H20Cl2O4 and a molecular weight of 383.27 g/mol. Its IUPAC name is ethyl 3-[4-(3,5-dichlorophenoxy)phenyl]-3-ethoxypropanoate.

Molecular Properties

Compound Nameethyl 3-[4-(3,5-dichlorophenoxy)phenyl]-3-ethoxypropanoate
PubChem CID67058217
Molecular FormulaC19H20Cl2O4
Molecular Weight383.27 g/mol
Exact Mass382.07
IUPAC Nameethyl 3-[4-(3,5-dichlorophenoxy)phenyl]-3-ethoxypropanoate
SMILESCCOC(=O)CC(OCC)c1ccc(Oc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C19H20Cl2O4/c1-3-23-18(12-19(22)24-4-2)13-5-7-16(8-6-13)25-17-10-14(20)9-15(21)11-17/h5-11,18H,3-4,12H2,1-2H3
InChIKeyDGSOGYOVFVRYQT-UHFFFAOYSA-N
XLogP5.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.27
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(3,5-dichlorophenoxy)phenyl]-3-ethoxypropanoate?
The IUPAC name of ethyl 3-[4-(3,5-dichlorophenoxy)phenyl]-3-ethoxypropanoate (CID 67058217) is ethyl 3-[4-(3,5-dichlorophenoxy)phenyl]-3-ethoxypropanoate.
What is the SMILES notation for ethyl 3-[4-(3,5-dichlorophenoxy)phenyl]-3-ethoxypropanoate?
The canonical SMILES for ethyl 3-[4-(3,5-dichlorophenoxy)phenyl]-3-ethoxypropanoate is CCOC(=O)CC(OCC)c1ccc(Oc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of ethyl 3-[4-(3,5-dichlorophenoxy)phenyl]-3-ethoxypropanoate?
The InChIKey is DGSOGYOVFVRYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2O4/c1-3-23-18(12-19(22)24-4-2)13-5-7-16(8-6-13)25-17-10-14(20)9-15(21)11-17/h5-11,18H,3-4,12H2,1-2H3.
What are the key properties of ethyl 3-[4-(3,5-dichlorophenoxy)phenyl]-3-ethoxypropanoate?
ethyl 3-[4-(3,5-dichlorophenoxy)phenyl]-3-ethoxypropanoate has a molecular weight of 383.27 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(3,5-dichlorophenoxy)phenyl]-3-ethoxypropanoate is sourced from PubChem (CID 67058217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).