(2R)-2-ethoxy-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoic acid

C20H22O4 — CID 71454437

IUPAC(2R)-2-ethoxy-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoic acid
SMILESCCO[C@H](Cc1ccc(OC/C=C/c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H22O4/c1-2-23-19(20(21)22)15-17-10-12-18(13-11-17)24-14-6-9-16-7-4-3-5-8-16/h3-13,19H,2,14-15H2,1H3,(H,21,22)/b9-6+/t19-/m1/s1
InChIKeyXPIWMJMYFHUGRW-MBNRZODZSA-N
MW326.39 g/mol
LogP3.81
Rot. Bonds9

About (2R)-2-ethoxy-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoic acid

(2R)-2-ethoxy-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoic acid (PubChem CID 71454437) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (2R)-2-ethoxy-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-ethoxy-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoic acid
PubChem CID71454437
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(2R)-2-ethoxy-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoic acid
SMILESCCO[C@H](Cc1ccc(OC/C=C/c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H22O4/c1-2-23-19(20(21)22)15-17-10-12-18(13-11-17)24-14-6-9-16-7-4-3-5-8-16/h3-13,19H,2,14-15H2,1H3,(H,21,22)/b9-6+/t19-/m1/s1
InChIKeyXPIWMJMYFHUGRW-MBNRZODZSA-N
XLogP3.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoic acid?
The IUPAC name of (2R)-2-ethoxy-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoic acid (CID 71454437) is (2R)-2-ethoxy-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-ethoxy-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoic acid?
The canonical SMILES for (2R)-2-ethoxy-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoic acid is CCO[C@H](Cc1ccc(OC/C=C/c2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-ethoxy-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoic acid?
The InChIKey is XPIWMJMYFHUGRW-MBNRZODZSA-N. The full InChI is InChI=1S/C20H22O4/c1-2-23-19(20(21)22)15-17-10-12-18(13-11-17)24-14-6-9-16-7-4-3-5-8-16/h3-13,19H,2,14-15H2,1H3,(H,21,22)/b9-6+/t19-/m1/s1.
What are the key properties of (2R)-2-ethoxy-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoic acid?
(2R)-2-ethoxy-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoic acid has a molecular weight of 326.39 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-3-[4-[(E)-3-phenylprop-2-enoxy]phenyl]propanoic acid is sourced from PubChem (CID 71454437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).