ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate

C18H20O4 — CID 15890182

IUPACethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
SMILESCCOC(=O)CC(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O4/c1-2-21-18(20)12-17(19)15-8-10-16(11-9-15)22-13-14-6-4-3-5-7-14/h3-11,17,19H,2,12-13H2,1H3
InChIKeyJLOHCJGAMMDPLV-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.25
Rot. Bonds7

About ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate

ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate (PubChem CID 15890182) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
PubChem CID15890182
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Nameethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
SMILESCCOC(=O)CC(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O4/c1-2-21-18(20)12-17(19)15-8-10-16(11-9-15)22-13-14-6-4-3-5-7-14/h3-11,17,19H,2,12-13H2,1H3
InChIKeyJLOHCJGAMMDPLV-UHFFFAOYSA-N
XLogP3.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-hydroxy-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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate?
The IUPAC name of ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate (CID 15890182) is ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate is CCOC(=O)CC(O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate?
The InChIKey is JLOHCJGAMMDPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-2-21-18(20)12-17(19)15-8-10-16(11-9-15)22-13-14-6-4-3-5-7-14/h3-11,17,19H,2,12-13H2,1H3.
What are the key properties of ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate?
ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate has a molecular weight of 300.35 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 15890182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).