(E)-4-(dimethylamino)-1,1-diphenylbut-2-en-1-ol

C18H21NO — CID 802114

IUPAC(E)-4-(dimethylamino)-1,1-diphenylbut-2-en-1-ol
SMILESCN(C)C/C=C/C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-19(2)15-9-14-18(20,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-14,20H,15H2,1-2H3/b14-9+
InChIKeyNIUAGZPKSVQRLN-NTEUORMPSA-N
MW267.37 g/mol
LogP3.04
Rot. Bonds5

About (E)-4-(dimethylamino)-1,1-diphenylbut-2-en-1-ol

(E)-4-(dimethylamino)-1,1-diphenylbut-2-en-1-ol (PubChem CID 802114) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-1,1-diphenylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-1,1-diphenylbut-2-en-1-ol
PubChem CID802114
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(E)-4-(dimethylamino)-1,1-diphenylbut-2-en-1-ol
SMILESCN(C)C/C=C/C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-19(2)15-9-14-18(20,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-14,20H,15H2,1-2H3/b14-9+
InChIKeyNIUAGZPKSVQRLN-NTEUORMPSA-N
XLogP3.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-1,1-diphenylbut-2-en-1-ol?
The IUPAC name of (E)-4-(dimethylamino)-1,1-diphenylbut-2-en-1-ol (CID 802114) is (E)-4-(dimethylamino)-1,1-diphenylbut-2-en-1-ol.
What is the SMILES notation for (E)-4-(dimethylamino)-1,1-diphenylbut-2-en-1-ol?
The canonical SMILES for (E)-4-(dimethylamino)-1,1-diphenylbut-2-en-1-ol is CN(C)C/C=C/C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-4-(dimethylamino)-1,1-diphenylbut-2-en-1-ol?
The InChIKey is NIUAGZPKSVQRLN-NTEUORMPSA-N. The full InChI is InChI=1S/C18H21NO/c1-19(2)15-9-14-18(20,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-14,20H,15H2,1-2H3/b14-9+.
What are the key properties of (E)-4-(dimethylamino)-1,1-diphenylbut-2-en-1-ol?
(E)-4-(dimethylamino)-1,1-diphenylbut-2-en-1-ol has a molecular weight of 267.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-1,1-diphenylbut-2-en-1-ol is sourced from PubChem (CID 802114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).