ethyl 2-[2-(2,4-dichlorophenyl)ethoxy]-4-propan-2-yloxybenzoate

C20H22Cl2O4 — CID 91128436

IUPACethyl 2-[2-(2,4-dichlorophenyl)ethoxy]-4-propan-2-yloxybenzoate
SMILESCCOC(=O)c1ccc(OC(C)C)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2O4/c1-4-24-20(23)17-8-7-16(26-13(2)3)12-19(17)25-10-9-14-5-6-15(21)11-18(14)22/h5-8,11-13H,4,9-10H2,1-3H3
InChIKeyONPCXSYRKZVRES-UHFFFAOYSA-N
MW397.30 g/mol
LogP5.58
Rot. Bonds8

About ethyl 2-[2-(2,4-dichlorophenyl)ethoxy]-4-propan-2-yloxybenzoate

ethyl 2-[2-(2,4-dichlorophenyl)ethoxy]-4-propan-2-yloxybenzoate (PubChem CID 91128436) has the molecular formula C20H22Cl2O4 and a molecular weight of 397.30 g/mol. Its IUPAC name is ethyl 2-[2-(2,4-dichlorophenyl)ethoxy]-4-propan-2-yloxybenzoate.

Molecular Properties

Compound Nameethyl 2-[2-(2,4-dichlorophenyl)ethoxy]-4-propan-2-yloxybenzoate
PubChem CID91128436
Molecular FormulaC20H22Cl2O4
Molecular Weight397.30 g/mol
Exact Mass396.09
IUPAC Nameethyl 2-[2-(2,4-dichlorophenyl)ethoxy]-4-propan-2-yloxybenzoate
SMILESCCOC(=O)c1ccc(OC(C)C)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2O4/c1-4-24-20(23)17-8-7-16(26-13(2)3)12-19(17)25-10-9-14-5-6-15(21)11-18(14)22/h5-8,11-13H,4,9-10H2,1-3H3
InChIKeyONPCXSYRKZVRES-UHFFFAOYSA-N
XLogP5.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.30
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-chloro-2-propan-2-yloxybenzoate
CID 164894970
2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 141052915
ethyl 2-chloro-4-propan-2-yloxybenzoate
CID 82551782
ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]-4-propan-2-ylpyrimidine-5-carboxylate
CID 171989260
3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid
CID 22052399
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate
CID 28578934
methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate
CID 7705071
ethyl 4-decoxy-2-hexoxybenzoate
CID 141156518
1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78906437
ethyl 2-(2-bromoethyl)-4-chlorobenzoate
CID 174442445
ethyl 2-chloro-4-propoxybenzoate
CID 82551799

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,4-dichlorophenyl)ethoxy]-4-propan-2-yloxybenzoate?
The IUPAC name of ethyl 2-[2-(2,4-dichlorophenyl)ethoxy]-4-propan-2-yloxybenzoate (CID 91128436) is ethyl 2-[2-(2,4-dichlorophenyl)ethoxy]-4-propan-2-yloxybenzoate.
What is the SMILES notation for ethyl 2-[2-(2,4-dichlorophenyl)ethoxy]-4-propan-2-yloxybenzoate?
The canonical SMILES for ethyl 2-[2-(2,4-dichlorophenyl)ethoxy]-4-propan-2-yloxybenzoate is CCOC(=O)c1ccc(OC(C)C)cc1OCCc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 2-[2-(2,4-dichlorophenyl)ethoxy]-4-propan-2-yloxybenzoate?
The InChIKey is ONPCXSYRKZVRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2O4/c1-4-24-20(23)17-8-7-16(26-13(2)3)12-19(17)25-10-9-14-5-6-15(21)11-18(14)22/h5-8,11-13H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-[2-(2,4-dichlorophenyl)ethoxy]-4-propan-2-yloxybenzoate?
ethyl 2-[2-(2,4-dichlorophenyl)ethoxy]-4-propan-2-yloxybenzoate has a molecular weight of 397.30 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,4-dichlorophenyl)ethoxy]-4-propan-2-yloxybenzoate is sourced from PubChem (CID 91128436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).