ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate

C24H23ClO4 — CID 18625711

IUPACethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate
SMILESCCOC(=O)C(Cc1ccc(OCc2ccccc2)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C24H23ClO4/c1-2-27-24(26)23(29-22-14-10-20(25)11-15-22)16-18-8-12-21(13-9-18)28-17-19-6-4-3-5-7-19/h3-15,23H,2,16-17H2,1H3
InChIKeyXELISUIWFCPBOW-UHFFFAOYSA-N
MW410.90 g/mol
LogP5.47
Rot. Bonds9

About ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate

ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate (PubChem CID 18625711) has the molecular formula C24H23ClO4 and a molecular weight of 410.90 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate
PubChem CID18625711
Molecular FormulaC24H23ClO4
Molecular Weight410.90 g/mol
Exact Mass410.13
IUPAC Nameethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate
SMILESCCOC(=O)C(Cc1ccc(OCc2ccccc2)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C24H23ClO4/c1-2-27-24(26)23(29-22-14-10-20(25)11-15-22)16-18-8-12-21(13-9-18)28-17-19-6-4-3-5-7-19/h3-15,23H,2,16-17H2,1H3
InChIKeyXELISUIWFCPBOW-UHFFFAOYSA-N
XLogP5.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.90
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate 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-tert-butylphenoxy)-3-(4-phenylmethoxyphenyl)propanoate
CID 18625918
ethyl (2S)-3-(4-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanoate
CID 125467568
ethyl (2R)-2-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl (2R)-2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 159032947
ethyl (2S)-2-amino-3-[4-[(4-chlorophenyl)methoxy]phenyl]propanoate;hydrochloride
CID 70109180
(2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 100544211
2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241069
ethyl 3-[4-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethoxy]phenyl]-2-phenoxypropanoate
CID 18626003
diethyl 2-[2-benzyl-3-(4-phenylmethoxyphenyl)propyl]propanedioate
CID 174424237
ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate
CID 18626029
ethyl (2R)-2-ethoxy-3-[4-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxyphenyl]propanoate
CID 69418001
3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid
CID 18443572
2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid
CID 44589957

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate?
The IUPAC name of ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate (CID 18625711) is ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate is CCOC(=O)C(Cc1ccc(OCc2ccccc2)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate?
The InChIKey is XELISUIWFCPBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClO4/c1-2-27-24(26)23(29-22-14-10-20(25)11-15-22)16-18-8-12-21(13-9-18)28-17-19-6-4-3-5-7-19/h3-15,23H,2,16-17H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate?
ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate has a molecular weight of 410.90 g/mol, XLogP of 5.47, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 18625711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).