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

C25H27NO2 — CID 118735369

IUPAC4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylpent-1-enyl]phenol
SMILESCCC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
InChIInChI=1S/C25H27NO2/c1-2-6-24(19-7-4-3-5-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26/h3-5,7-16,27H,2,6,17-18,26H2,1H3/b25-24+
InChIKeyXNGMUTOMPNQBLW-OCOZRVBESA-N
MW373.50 g/mol
LogP5.49
Rot. Bonds8

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

4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylpent-1-enyl]phenol (PubChem CID 118735369) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylpent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylpent-1-enyl]phenol
PubChem CID118735369
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylpent-1-enyl]phenol
SMILESCCC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
InChIInChI=1S/C25H27NO2/c1-2-6-24(19-7-4-3-5-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26/h3-5,7-16,27H,2,6,17-18,26H2,1H3/b25-24+
InChIKeyXNGMUTOMPNQBLW-OCOZRVBESA-N
XLogP5.49
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.49
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-phenylpent-1-enyl]phenol?
The IUPAC name of 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylpent-1-enyl]phenol (CID 118735369) is 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylpent-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylpent-1-enyl]phenol?
The canonical SMILES for 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylpent-1-enyl]phenol is CCC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1.
What is the InChIKey of 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylpent-1-enyl]phenol?
The InChIKey is XNGMUTOMPNQBLW-OCOZRVBESA-N. The full InChI is InChI=1S/C25H27NO2/c1-2-6-24(19-7-4-3-5-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26/h3-5,7-16,27H,2,6,17-18,26H2,1H3/b25-24+.
What are the key properties of 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylpent-1-enyl]phenol?
4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylpent-1-enyl]phenol has a molecular weight of 373.50 g/mol, XLogP of 5.49, 8 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-phenylpent-1-enyl]phenol is sourced from PubChem (CID 118735369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).