2-[4-(dimethylamino)phenyl]-2-hydroxy-1-phenylethanone

C16H17NO2 — CID 590628

IUPAC2-[4-(dimethylamino)phenyl]-2-hydroxy-1-phenylethanone
SMILESCN(C)c1ccc(C(O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-17(2)14-10-8-13(9-11-14)16(19)15(18)12-6-4-3-5-7-12/h3-11,16,19H,1-2H3
InChIKeyDGPYFXUBTULRPD-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.67
Rot. Bonds4

About 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-phenylethanone

2-[4-(dimethylamino)phenyl]-2-hydroxy-1-phenylethanone (PubChem CID 590628) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-phenylethanone.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-2-hydroxy-1-phenylethanone
PubChem CID590628
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[4-(dimethylamino)phenyl]-2-hydroxy-1-phenylethanone
SMILESCN(C)c1ccc(C(O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-17(2)14-10-8-13(9-11-14)16(19)15(18)12-6-4-3-5-7-12/h3-11,16,19H,1-2H3
InChIKeyDGPYFXUBTULRPD-UHFFFAOYSA-N
XLogP2.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-phenylethanone?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-phenylethanone (CID 590628) is 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-phenylethanone.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-phenylethanone?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-phenylethanone is CN(C)c1ccc(C(O)C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-phenylethanone?
The InChIKey is DGPYFXUBTULRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17(2)14-10-8-13(9-11-14)16(19)15(18)12-6-4-3-5-7-12/h3-11,16,19H,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-phenylethanone?
2-[4-(dimethylamino)phenyl]-2-hydroxy-1-phenylethanone has a molecular weight of 255.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-phenylethanone is sourced from PubChem (CID 590628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).