3-[4-(dimethylamino)phenyl]-1,1-diphenylprop-2-en-1-ol

C23H23NO — CID 3299771

IUPAC3-[4-(dimethylamino)phenyl]-1,1-diphenylprop-2-en-1-ol
SMILESCN(C)c1ccc(C=CC(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO/c1-24(2)22-15-13-19(14-16-22)17-18-23(25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-18,25H,1-2H3
InChIKeyZEMDYXJLPSEKFS-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.70
Rot. Bonds5

About 3-[4-(dimethylamino)phenyl]-1,1-diphenylprop-2-en-1-ol

3-[4-(dimethylamino)phenyl]-1,1-diphenylprop-2-en-1-ol (PubChem CID 3299771) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-1,1-diphenylprop-2-en-1-ol.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-1,1-diphenylprop-2-en-1-ol
PubChem CID3299771
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name3-[4-(dimethylamino)phenyl]-1,1-diphenylprop-2-en-1-ol
SMILESCN(C)c1ccc(C=CC(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO/c1-24(2)22-15-13-19(14-16-22)17-18-23(25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-18,25H,1-2H3
InChIKeyZEMDYXJLPSEKFS-UHFFFAOYSA-N
XLogP4.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-1,1-diphenylprop-2-en-1-ol?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-1,1-diphenylprop-2-en-1-ol (CID 3299771) is 3-[4-(dimethylamino)phenyl]-1,1-diphenylprop-2-en-1-ol.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-1,1-diphenylprop-2-en-1-ol?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-1,1-diphenylprop-2-en-1-ol is CN(C)c1ccc(C=CC(O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-1,1-diphenylprop-2-en-1-ol?
The InChIKey is ZEMDYXJLPSEKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-24(2)22-15-13-19(14-16-22)17-18-23(25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-18,25H,1-2H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-1,1-diphenylprop-2-en-1-ol?
3-[4-(dimethylamino)phenyl]-1,1-diphenylprop-2-en-1-ol has a molecular weight of 329.44 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-1,1-diphenylprop-2-en-1-ol is sourced from PubChem (CID 3299771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).