5-[(E)-2-[4-[[5-(dimethylamino)-2-hydroxyphenyl]methylamino]phenyl]ethenyl]benzene-1,3-diol

C23H24N2O3 — CID 71764831

IUPAC5-[(E)-2-[4-[[5-(dimethylamino)-2-hydroxyphenyl]methylamino]phenyl]ethenyl]benzene-1,3-diol
SMILESCN(C)c1ccc(O)c(CNc2ccc(/C=C/c3cc(O)cc(O)c3)cc2)c1
InChIInChI=1S/C23H24N2O3/c1-25(2)20-9-10-23(28)18(13-20)15-24-19-7-5-16(6-8-19)3-4-17-11-21(26)14-22(27)12-17/h3-14,24,26-28H,15H2,1-2H3/b4-3+
InChIKeyGYDUDZPNGRTASE-ONEGZZNKSA-N
MW376.46 g/mol
LogP4.65
Rot. Bonds6

About 5-[(E)-2-[4-[[5-(dimethylamino)-2-hydroxyphenyl]methylamino]phenyl]ethenyl]benzene-1,3-diol

5-[(E)-2-[4-[[5-(dimethylamino)-2-hydroxyphenyl]methylamino]phenyl]ethenyl]benzene-1,3-diol (PubChem CID 71764831) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-[(E)-2-[4-[[5-(dimethylamino)-2-hydroxyphenyl]methylamino]phenyl]ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-[4-[[5-(dimethylamino)-2-hydroxyphenyl]methylamino]phenyl]ethenyl]benzene-1,3-diol
PubChem CID71764831
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name5-[(E)-2-[4-[[5-(dimethylamino)-2-hydroxyphenyl]methylamino]phenyl]ethenyl]benzene-1,3-diol
SMILESCN(C)c1ccc(O)c(CNc2ccc(/C=C/c3cc(O)cc(O)c3)cc2)c1
InChIInChI=1S/C23H24N2O3/c1-25(2)20-9-10-23(28)18(13-20)15-24-19-7-5-16(6-8-19)3-4-17-11-21(26)14-22(27)12-17/h3-14,24,26-28H,15H2,1-2H3/b4-3+
InChIKeyGYDUDZPNGRTASE-ONEGZZNKSA-N
XLogP4.65
TPSA75.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[4-[[5-(dimethylamino)-2-hydroxyphenyl]methylamino]phenyl]ethenyl]benzene-1,3-diol?
The IUPAC name of 5-[(E)-2-[4-[[5-(dimethylamino)-2-hydroxyphenyl]methylamino]phenyl]ethenyl]benzene-1,3-diol (CID 71764831) is 5-[(E)-2-[4-[[5-(dimethylamino)-2-hydroxyphenyl]methylamino]phenyl]ethenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-[4-[[5-(dimethylamino)-2-hydroxyphenyl]methylamino]phenyl]ethenyl]benzene-1,3-diol?
The canonical SMILES for 5-[(E)-2-[4-[[5-(dimethylamino)-2-hydroxyphenyl]methylamino]phenyl]ethenyl]benzene-1,3-diol is CN(C)c1ccc(O)c(CNc2ccc(/C=C/c3cc(O)cc(O)c3)cc2)c1.
What is the InChIKey of 5-[(E)-2-[4-[[5-(dimethylamino)-2-hydroxyphenyl]methylamino]phenyl]ethenyl]benzene-1,3-diol?
The InChIKey is GYDUDZPNGRTASE-ONEGZZNKSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-25(2)20-9-10-23(28)18(13-20)15-24-19-7-5-16(6-8-19)3-4-17-11-21(26)14-22(27)12-17/h3-14,24,26-28H,15H2,1-2H3/b4-3+.
What are the key properties of 5-[(E)-2-[4-[[5-(dimethylamino)-2-hydroxyphenyl]methylamino]phenyl]ethenyl]benzene-1,3-diol?
5-[(E)-2-[4-[[5-(dimethylamino)-2-hydroxyphenyl]methylamino]phenyl]ethenyl]benzene-1,3-diol has a molecular weight of 376.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[4-[[5-(dimethylamino)-2-hydroxyphenyl]methylamino]phenyl]ethenyl]benzene-1,3-diol is sourced from PubChem (CID 71764831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).