(2S)-3-[4-[(E)-3-(3,5-diphenylphenyl)prop-2-enoxy]phenyl]-2-ethoxypropanoic acid

C32H30O4 — CID 20765803

IUPAC(2S)-3-[4-[(E)-3-(3,5-diphenylphenyl)prop-2-enoxy]phenyl]-2-ethoxypropanoic acid
SMILESCCO[C@@H](Cc1ccc(OC/C=C/c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1)C(=O)O
InChIInChI=1S/C32H30O4/c1-2-35-31(32(33)34)22-24-15-17-30(18-16-24)36-19-9-10-25-20-28(26-11-5-3-6-12-26)23-29(21-25)27-13-7-4-8-14-27/h3-18,20-21,23,31H,2,19,22H2,1H3,(H,33,34)/b10-9+/t31-/m0/s1
InChIKeyBFPHAXWMTSCCLM-RRZIWXQWSA-N
MW478.59 g/mol
LogP7.14
Rot. Bonds11

About (2S)-3-[4-[(E)-3-(3,5-diphenylphenyl)prop-2-enoxy]phenyl]-2-ethoxypropanoic acid

(2S)-3-[4-[(E)-3-(3,5-diphenylphenyl)prop-2-enoxy]phenyl]-2-ethoxypropanoic acid (PubChem CID 20765803) has the molecular formula C32H30O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is (2S)-3-[4-[(E)-3-(3,5-diphenylphenyl)prop-2-enoxy]phenyl]-2-ethoxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[4-[(E)-3-(3,5-diphenylphenyl)prop-2-enoxy]phenyl]-2-ethoxypropanoic acid
PubChem CID20765803
Molecular FormulaC32H30O4
Molecular Weight478.59 g/mol
Exact Mass478.21
IUPAC Name(2S)-3-[4-[(E)-3-(3,5-diphenylphenyl)prop-2-enoxy]phenyl]-2-ethoxypropanoic acid
SMILESCCO[C@@H](Cc1ccc(OC/C=C/c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1)C(=O)O
InChIInChI=1S/C32H30O4/c1-2-35-31(32(33)34)22-24-15-17-30(18-16-24)36-19-9-10-25-20-28(26-11-5-3-6-12-26)23-29(21-25)27-13-7-4-8-14-27/h3-18,20-21,23,31H,2,19,22H2,1H3,(H,33,34)/b10-9+/t31-/m0/s1
InChIKeyBFPHAXWMTSCCLM-RRZIWXQWSA-N
XLogP7.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-3-[4-[(E)-3-(3,5-diphenylphenyl)prop-2-enoxy]phenyl]-2-ethoxypropanoic acid 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 (2S)-3-[4-[(E)-3-(3,5-diphenylphenyl)prop-2-enoxy]phenyl]-2-ethoxypropanoic acid?
The IUPAC name of (2S)-3-[4-[(E)-3-(3,5-diphenylphenyl)prop-2-enoxy]phenyl]-2-ethoxypropanoic acid (CID 20765803) is (2S)-3-[4-[(E)-3-(3,5-diphenylphenyl)prop-2-enoxy]phenyl]-2-ethoxypropanoic acid.
What is the SMILES notation for (2S)-3-[4-[(E)-3-(3,5-diphenylphenyl)prop-2-enoxy]phenyl]-2-ethoxypropanoic acid?
The canonical SMILES for (2S)-3-[4-[(E)-3-(3,5-diphenylphenyl)prop-2-enoxy]phenyl]-2-ethoxypropanoic acid is CCO[C@@H](Cc1ccc(OC/C=C/c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1)C(=O)O.
What is the InChIKey of (2S)-3-[4-[(E)-3-(3,5-diphenylphenyl)prop-2-enoxy]phenyl]-2-ethoxypropanoic acid?
The InChIKey is BFPHAXWMTSCCLM-RRZIWXQWSA-N. The full InChI is InChI=1S/C32H30O4/c1-2-35-31(32(33)34)22-24-15-17-30(18-16-24)36-19-9-10-25-20-28(26-11-5-3-6-12-26)23-29(21-25)27-13-7-4-8-14-27/h3-18,20-21,23,31H,2,19,22H2,1H3,(H,33,34)/b10-9+/t31-/m0/s1.
What are the key properties of (2S)-3-[4-[(E)-3-(3,5-diphenylphenyl)prop-2-enoxy]phenyl]-2-ethoxypropanoic acid?
(2S)-3-[4-[(E)-3-(3,5-diphenylphenyl)prop-2-enoxy]phenyl]-2-ethoxypropanoic acid has a molecular weight of 478.59 g/mol, XLogP of 7.14, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[4-[(E)-3-(3,5-diphenylphenyl)prop-2-enoxy]phenyl]-2-ethoxypropanoic acid is sourced from PubChem (CID 20765803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).