4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylethenyl]phenol

C22H21NO2 — CID 118735366

IUPAC4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylethenyl]phenol
SMILESNCCOc1ccc(/C(=C/c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H21NO2/c23-14-15-25-21-12-8-19(9-13-21)22(16-17-4-2-1-3-5-17)18-6-10-20(24)11-7-18/h1-13,16,24H,14-15,23H2/b22-16+
InChIKeyVYRYZZVHMBHTRR-CJLVFECKSA-N
MW331.42 g/mol
LogP4.32
Rot. Bonds6

About 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylethenyl]phenol

4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylethenyl]phenol (PubChem CID 118735366) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylethenyl]phenol
PubChem CID118735366
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylethenyl]phenol
SMILESNCCOc1ccc(/C(=C/c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H21NO2/c23-14-15-25-21-12-8-19(9-13-21)22(16-17-4-2-1-3-5-17)18-6-10-20(24)11-7-18/h1-13,16,24H,14-15,23H2/b22-16+
InChIKeyVYRYZZVHMBHTRR-CJLVFECKSA-N
XLogP4.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylethenyl]phenol?
The IUPAC name of 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylethenyl]phenol (CID 118735366) is 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylethenyl]phenol.
What is the SMILES notation for 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylethenyl]phenol?
The canonical SMILES for 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylethenyl]phenol is NCCOc1ccc(/C(=C/c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylethenyl]phenol?
The InChIKey is VYRYZZVHMBHTRR-CJLVFECKSA-N. The full InChI is InChI=1S/C22H21NO2/c23-14-15-25-21-12-8-19(9-13-21)22(16-17-4-2-1-3-5-17)18-6-10-20(24)11-7-18/h1-13,16,24H,14-15,23H2/b22-16+.
What are the key properties of 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylethenyl]phenol?
4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylethenyl]phenol has a molecular weight of 331.42 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylethenyl]phenol is sourced from PubChem (CID 118735366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).