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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Related Compounds

ethyl (3R)-3-ethoxy-3-(4-nitrophenyl)propanoate
CID 129379762
ethyl 3-[4-(4-cyanonaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoate
CID 67058116
butyl 3-ethoxy-3-phenylpropanoate
CID 174751774
ethyl 3-(3,5-dichlorophenoxy)benzoate
CID 170871962
ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride
CID 2847356
ethyl (3S)-3-(4-hydroxyphenyl)-3-methoxypropanoate
CID 129379354
ethyl 3-(4-dimethylsilylphenyl)-3-methoxypropanoate
CID 151002957
ethyl 4-chloro-4-(4-ethoxyphenyl)butanoate
CID 82366898
2-(3,5-dichlorophenyl)-2-ethoxyethanamine
CID 66072782
[4-(4-chlorophenoxy)phenyl] ethyl carbonate
CID 146594129
ethyl (3S)-3-amino-3-(3-chloro-5-methylphenyl)propanoate
CID 140851212
ethyl 6-amino-6-(4-chlorophenyl)hexanoate
CID 60860824

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).