ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate

C18H20O4 — CID 18626029

IUPACethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate
SMILESCCOC(=O)C(Cc1ccc(O)cc1)Oc1ccc(C)cc1
InChIInChI=1S/C18H20O4/c1-3-21-18(20)17(12-14-6-8-15(19)9-7-14)22-16-10-4-13(2)5-11-16/h4-11,17,19H,3,12H2,1-2H3
InChIKeyWKRCUDDHLZJUDX-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.25
Rot. Bonds6

About ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate

ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate (PubChem CID 18626029) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate
PubChem CID18626029
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Nameethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate
SMILESCCOC(=O)C(Cc1ccc(O)cc1)Oc1ccc(C)cc1
InChIInChI=1S/C18H20O4/c1-3-21-18(20)17(12-14-6-8-15(19)9-7-14)22-16-10-4-13(2)5-11-16/h4-11,17,19H,3,12H2,1-2H3
InChIKeyWKRCUDDHLZJUDX-UHFFFAOYSA-N
XLogP3.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)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-methylphenoxy)butanoate
CID 64662052
ethyl (2S)-3-(4-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanoate
CID 125467568
ethyl (2S)-2-ethoxy-3-[4-[2-(4-hydroxyphenyl)ethoxy]phenyl]propanoate
CID 71012940
ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate
CID 18625711
ethyl (2R)-2-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl (2R)-2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 159032947
ethyl 2-(4-tert-butylphenoxy)-3-(4-phenylmethoxyphenyl)propanoate
CID 18625918
propyl 2-ethoxy-3-(4-methylphenyl)propanoate
CID 142845050
(2S)-2-(4-methoxyphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525673
ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate
CID 45101649
ethyl 2-(4-propylphenoxy)butanoate
CID 64662863
ethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate
CID 71545342
(2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid
CID 54214369

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate?
The IUPAC name of ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate (CID 18626029) is ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate.
What is the SMILES notation for ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate?
The canonical SMILES for ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate is CCOC(=O)C(Cc1ccc(O)cc1)Oc1ccc(C)cc1.
What is the InChIKey of ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate?
The InChIKey is WKRCUDDHLZJUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-21-18(20)17(12-14-6-8-15(19)9-7-14)22-16-10-4-13(2)5-11-16/h4-11,17,19H,3,12H2,1-2H3.
What are the key properties of ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate?
ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate has a molecular weight of 300.35 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate is sourced from PubChem (CID 18626029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).