2-(dimethylamino)-2-hydroxy-1,2-diphenylethanone

C16H17NO2 — CID 54099024

IUPAC2-(dimethylamino)-2-hydroxy-1,2-diphenylethanone
SMILESCN(C)C(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-17(2)16(19,14-11-7-4-8-12-14)15(18)13-9-5-3-6-10-13/h3-12,19H,1-2H3
InChIKeyMZFPZCINLHAEOD-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.28
Rot. Bonds4

About 2-(dimethylamino)-2-hydroxy-1,2-diphenylethanone

2-(dimethylamino)-2-hydroxy-1,2-diphenylethanone (PubChem CID 54099024) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(dimethylamino)-2-hydroxy-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(dimethylamino)-2-hydroxy-1,2-diphenylethanone
PubChem CID54099024
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-(dimethylamino)-2-hydroxy-1,2-diphenylethanone
SMILESCN(C)C(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-17(2)16(19,14-11-7-4-8-12-14)15(18)13-9-5-3-6-10-13/h3-12,19H,1-2H3
InChIKeyMZFPZCINLHAEOD-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Mls002607919
CID 234818
1-Cyclohexyl-4-[4-[(dimethylamino)methyl]phenyl]-1-hydroxy-1-phenylbutan-2-one
CID 15105905
2-Propanone, 3-diethylamino-1,1-diphenyl-1-hydroxy-
CID 212769
2-Propanone, 3-dimethylamino-1,1-diphenyl-1-hydroxy-
CID 214179
2-[[Benzyl(hexyl)amino]methyl]-3-hydroxy-naphthalene-1,4-dione
CID 15956521
2-[[Benzyl(heptyl)amino]methyl]-3-hydroxy-naphthalene-1,4-dione
CID 15956522
2-[[Benzyl(octyl)amino]methyl]-3-hydroxy-naphthalene-1,4-dione
CID 15956523
2'-[(Dimethylamino)carbonyl][1,1'-biphenyl]-2-carboxylic acid
CID 2833637
5-Hydroxy-1-methyl-3,5-diphenylpyrrol-2-one
CID 72546354
4-Hydroxy-4-phenyl-piperidino-butyrophenone
CID 129718931
4-[2-(Dimethylamino)-2-(4-fluorobenzoyl)butyl]benzoic acid
CID 118521204
1-[2-[(Dimethylamino)methyl]phenyl]-4-(2-fluorophenyl)-4-hydroxybutan-1-one
CID 123670330

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-hydroxy-1,2-diphenylethanone?
The IUPAC name of 2-(dimethylamino)-2-hydroxy-1,2-diphenylethanone (CID 54099024) is 2-(dimethylamino)-2-hydroxy-1,2-diphenylethanone.
What is the SMILES notation for 2-(dimethylamino)-2-hydroxy-1,2-diphenylethanone?
The canonical SMILES for 2-(dimethylamino)-2-hydroxy-1,2-diphenylethanone is CN(C)C(O)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-2-hydroxy-1,2-diphenylethanone?
The InChIKey is MZFPZCINLHAEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17(2)16(19,14-11-7-4-8-12-14)15(18)13-9-5-3-6-10-13/h3-12,19H,1-2H3.
What are the key properties of 2-(dimethylamino)-2-hydroxy-1,2-diphenylethanone?
2-(dimethylamino)-2-hydroxy-1,2-diphenylethanone has a molecular weight of 255.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-hydroxy-1,2-diphenylethanone is sourced from PubChem (CID 54099024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).