(E)-3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one

C17H17NO2 — CID 5331296

IUPAC(E)-3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one
SMILESCN(C)c1ccc(/C=C/C(=O)c2ccccc2O)cc1
InChIInChI=1S/C17H17NO2/c1-18(2)14-10-7-13(8-11-14)9-12-17(20)15-5-3-4-6-16(15)19/h3-12,19H,1-2H3/b12-9+
InChIKeyNSBRMLGDDBWATL-FMIVXFBMSA-N
MW267.33 g/mol
LogP3.35
Rot. Bonds4

About (E)-3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one

(E)-3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one (PubChem CID 5331296) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (E)-3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one
PubChem CID5331296
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(E)-3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one
SMILESCN(C)c1ccc(/C=C/C(=O)c2ccccc2O)cc1
InChIInChI=1S/C17H17NO2/c1-18(2)14-10-7-13(8-11-14)9-12-17(20)15-5-3-4-6-16(15)19/h3-12,19H,1-2H3/b12-9+
InChIKeyNSBRMLGDDBWATL-FMIVXFBMSA-N
XLogP3.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Salicylanilide
CID 6872
2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid
CID 79878
Osalmid
CID 4602
2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid
CID 1910825
4-(Diethylamino)-2-hydroxybenzaldehyde
CID 87293
4-(Dimethylamino)-2-hydroxybenzaldehyde
CID 9815305
2-hydroxy-N-(4-methylphenyl)benzamide
CID 478805
Mls000737949
CID 5354467
4-(Dimethylamino)salicylic acid
CID 89978
2-(4-Dimethylamino-2-hydroxy-benzoyl)-benzoic acid
CID 655619
2-[4-(Dimethylamino)phenyl]-4h-Chromen-4-One
CID 1241435
DNA-PK inhibitor V
CID 16760391

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one (CID 5331296) is (E)-3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one is CN(C)c1ccc(/C=C/C(=O)c2ccccc2O)cc1.
What is the InChIKey of (E)-3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is NSBRMLGDDBWATL-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H17NO2/c1-18(2)14-10-7-13(8-11-14)9-12-17(20)15-5-3-4-6-16(15)19/h3-12,19H,1-2H3/b12-9+.
What are the key properties of (E)-3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one?
(E)-3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 267.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 5331296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).