ethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate

C21H26O4 — CID 86587076

IUPACethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate
SMILESCCOC(=O)[C@@H](Cc1ccc(O)cc1)OCCCCc1ccccc1
InChIInChI=1S/C21H26O4/c1-2-24-21(23)20(16-18-11-13-19(22)14-12-18)25-15-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-14,20,22H,2,6-7,10,15-16H2,1H3/t20-/m1/s1
InChIKeyZIDZSBYFKVRISD-HXUWFJFHSA-N
MW342.44 g/mol
LogP3.91
Rot. Bonds10

About ethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate

ethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate (PubChem CID 86587076) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate.

Molecular Properties

Compound Nameethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate
PubChem CID86587076
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Nameethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate
SMILESCCOC(=O)[C@@H](Cc1ccc(O)cc1)OCCCCc1ccccc1
InChIInChI=1S/C21H26O4/c1-2-24-21(23)20(16-18-11-13-19(22)14-12-18)25-15-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-14,20,22H,2,6-7,10,15-16H2,1H3/t20-/m1/s1
InChIKeyZIDZSBYFKVRISD-HXUWFJFHSA-N
XLogP3.91
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)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

3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate
CID 22557570
ethyl (2R)-2-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl (2R)-2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 159032947
ethyl (2S)-2-ethoxy-3-[4-[2-(4-hydroxyphenyl)ethoxy]phenyl]propanoate
CID 71012940
methyl 2-hexoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 54519655
ethyl 2-butoxy-3-(2-phenylmethoxyphenyl)propanoate
CID 175236929
ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate
CID 18626029
ethyl (2S)-2-diethoxyphosphoryl-2-(3-phenylpropoxy)acetate
CID 91246186
triethyl 1-hydroxy-2-(9-phenylnonoxy)ethane-1,1,2-tricarboxylate
CID 139655831
ethyl 4-hydroxybenzoate;propylbenzene
CID 174891390
ethyl 6-phenylhexyl carbonate
CID 67250774
diethyl 2-(4-phenylbutyl)propanedioate
CID 10661321
ethyl (2R)-3-[4-(dibenzylamino)phenyl]-2-ethoxypropanoate
CID 59639980

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate?
The IUPAC name of ethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate (CID 86587076) is ethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate.
What is the SMILES notation for ethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate?
The canonical SMILES for ethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate is CCOC(=O)[C@@H](Cc1ccc(O)cc1)OCCCCc1ccccc1.
What is the InChIKey of ethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate?
The InChIKey is ZIDZSBYFKVRISD-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26O4/c1-2-24-21(23)20(16-18-11-13-19(22)14-12-18)25-15-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-14,20,22H,2,6-7,10,15-16H2,1H3/t20-/m1/s1.
What are the key properties of ethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate?
ethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate has a molecular weight of 342.44 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate is sourced from PubChem (CID 86587076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).