ethyl 3-[2-[(2,4-dichlorophenyl)methoxy]-4-hydroxyphenyl]propanoate

C18H18Cl2O4 — CID 139988229

IUPACethyl 3-[2-[(2,4-dichlorophenyl)methoxy]-4-hydroxyphenyl]propanoate
SMILESCCOC(=O)CCc1ccc(O)cc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2O4/c1-2-23-18(22)8-5-12-4-7-15(21)10-17(12)24-11-13-3-6-14(19)9-16(13)20/h3-4,6-7,9-10,21H,2,5,8,11H2,1H3
InChIKeySDHPOCKMOJFUCA-UHFFFAOYSA-N
MW369.24 g/mol
LogP4.77
Rot. Bonds7

About ethyl 3-[2-[(2,4-dichlorophenyl)methoxy]-4-hydroxyphenyl]propanoate

ethyl 3-[2-[(2,4-dichlorophenyl)methoxy]-4-hydroxyphenyl]propanoate (PubChem CID 139988229) has the molecular formula C18H18Cl2O4 and a molecular weight of 369.24 g/mol. Its IUPAC name is ethyl 3-[2-[(2,4-dichlorophenyl)methoxy]-4-hydroxyphenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[(2,4-dichlorophenyl)methoxy]-4-hydroxyphenyl]propanoate
PubChem CID139988229
Molecular FormulaC18H18Cl2O4
Molecular Weight369.24 g/mol
Exact Mass368.06
IUPAC Nameethyl 3-[2-[(2,4-dichlorophenyl)methoxy]-4-hydroxyphenyl]propanoate
SMILESCCOC(=O)CCc1ccc(O)cc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2O4/c1-2-23-18(22)8-5-12-4-7-15(21)10-17(12)24-11-13-3-6-14(19)9-16(13)20/h3-4,6-7,9-10,21H,2,5,8,11H2,1H3
InChIKeySDHPOCKMOJFUCA-UHFFFAOYSA-N
XLogP4.77
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate
CID 139988094
ethyl (E)-3-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91684776
ethyl 2-amino-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]propanoate
CID 170885305
ethyl 2-[(2,4-dichlorophenyl)methylsulfanyl]acetate
CID 5128433
ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
CID 134641178
ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate
CID 28578934
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
ethyl 2-[(2,4-dichlorophenyl)methylamino]acetate
CID 60680818
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
ethyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43365233
ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate
CID 62012022

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[(2,4-dichlorophenyl)methoxy]-4-hydroxyphenyl]propanoate?
The IUPAC name of ethyl 3-[2-[(2,4-dichlorophenyl)methoxy]-4-hydroxyphenyl]propanoate (CID 139988229) is ethyl 3-[2-[(2,4-dichlorophenyl)methoxy]-4-hydroxyphenyl]propanoate.
What is the SMILES notation for ethyl 3-[2-[(2,4-dichlorophenyl)methoxy]-4-hydroxyphenyl]propanoate?
The canonical SMILES for ethyl 3-[2-[(2,4-dichlorophenyl)methoxy]-4-hydroxyphenyl]propanoate is CCOC(=O)CCc1ccc(O)cc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 3-[2-[(2,4-dichlorophenyl)methoxy]-4-hydroxyphenyl]propanoate?
The InChIKey is SDHPOCKMOJFUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2O4/c1-2-23-18(22)8-5-12-4-7-15(21)10-17(12)24-11-13-3-6-14(19)9-16(13)20/h3-4,6-7,9-10,21H,2,5,8,11H2,1H3.
What are the key properties of ethyl 3-[2-[(2,4-dichlorophenyl)methoxy]-4-hydroxyphenyl]propanoate?
ethyl 3-[2-[(2,4-dichlorophenyl)methoxy]-4-hydroxyphenyl]propanoate has a molecular weight of 369.24 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[(2,4-dichlorophenyl)methoxy]-4-hydroxyphenyl]propanoate is sourced from PubChem (CID 139988229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).