ethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]butanoate

C19H20Cl2O3 — CID 70623178

IUPACethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1ccc(Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2O3/c1-3-18(19(22)23-4-2)24-16-9-5-13(6-10-16)11-14-7-8-15(20)12-17(14)21/h5-10,12,18H,3-4,11H2,1-2H3
InChIKeyUQKANWHCFCLOHQ-UHFFFAOYSA-N
MW367.27 g/mol
LogP5.30
Rot. Bonds7

About ethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]butanoate

ethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]butanoate (PubChem CID 70623178) has the molecular formula C19H20Cl2O3 and a molecular weight of 367.27 g/mol. Its IUPAC name is ethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]butanoate
PubChem CID70623178
Molecular FormulaC19H20Cl2O3
Molecular Weight367.27 g/mol
Exact Mass366.08
IUPAC Nameethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1ccc(Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2O3/c1-3-18(19(22)23-4-2)24-16-9-5-13(6-10-16)11-14-7-8-15(20)12-17(14)21/h5-10,12,18H,3-4,11H2,1-2H3
InChIKeyUQKANWHCFCLOHQ-UHFFFAOYSA-N
XLogP5.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.27
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-propylphenoxy)butanoate
CID 64662863
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 54776466
ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
ethyl (2S)-3-(4-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanoate
CID 125467568
ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate
CID 124503178
(2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide
CID 99956967
4-[(2,4-dichlorophenyl)methyl]aniline
CID 116926043
ethyl (2S)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoate
CID 168869982
(2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid
CID 67627355
ethyl (2S)-2-(4-nitrophenoxy)butanoate
CID 95358569
ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate
CID 40613985
ethyl 2-(2,5-dichlorophenoxy)pentanoate
CID 83038151

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]butanoate?
The IUPAC name of ethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]butanoate (CID 70623178) is ethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]butanoate.
What is the SMILES notation for ethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]butanoate?
The canonical SMILES for ethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]butanoate is CCOC(=O)C(CC)Oc1ccc(Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of ethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]butanoate?
The InChIKey is UQKANWHCFCLOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2O3/c1-3-18(19(22)23-4-2)24-16-9-5-13(6-10-16)11-14-7-8-15(20)12-17(14)21/h5-10,12,18H,3-4,11H2,1-2H3.
What are the key properties of ethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]butanoate?
ethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]butanoate has a molecular weight of 367.27 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]butanoate is sourced from PubChem (CID 70623178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).