4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenol

C16H17NO — CID 21299300

IUPAC4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenol
SMILESCN(C)c1ccc(/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C16H17NO/c1-17(2)15-9-5-13(6-10-15)3-4-14-7-11-16(18)12-8-14/h3-12,18H,1-2H3/b4-3+
InChIKeyHBQOSFXNSGEHIA-ONEGZZNKSA-N
MW239.32 g/mol
LogP3.63
Rot. Bonds3

About 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenol

4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenol (PubChem CID 21299300) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenol
PubChem CID21299300
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenol
SMILESCN(C)c1ccc(/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C16H17NO/c1-17(2)15-9-5-13(6-10-15)3-4-14-7-11-16(18)12-8-14/h3-12,18H,1-2H3/b4-3+
InChIKeyHBQOSFXNSGEHIA-ONEGZZNKSA-N
XLogP3.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenol (CID 21299300) is 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenol is CN(C)c1ccc(/C=C/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenol?
The InChIKey is HBQOSFXNSGEHIA-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H17NO/c1-17(2)15-9-5-13(6-10-15)3-4-14-7-11-16(18)12-8-14/h3-12,18H,1-2H3/b4-3+.
What are the key properties of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenol?
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenol has a molecular weight of 239.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenol is sourced from PubChem (CID 21299300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).