2-(dimethylamino)-2-hydroxy-1-phenylethanone

C10H13NO2 — CID 130028698

IUPAC2-(dimethylamino)-2-hydroxy-1-phenylethanone
SMILESCN(C)C(O)C(=O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-11(2)10(13)9(12)8-6-4-3-5-7-8/h3-7,10,13H,1-2H3
InChIKeyLYEXONBZZRPJJJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.75
Rot. Bonds3

About 2-(dimethylamino)-2-hydroxy-1-phenylethanone

2-(dimethylamino)-2-hydroxy-1-phenylethanone (PubChem CID 130028698) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(dimethylamino)-2-hydroxy-1-phenylethanone.

Molecular Properties

Compound Name2-(dimethylamino)-2-hydroxy-1-phenylethanone
PubChem CID130028698
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-(dimethylamino)-2-hydroxy-1-phenylethanone
SMILESCN(C)C(O)C(=O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-11(2)10(13)9(12)8-6-4-3-5-7-8/h3-7,10,13H,1-2H3
InChIKeyLYEXONBZZRPJJJ-UHFFFAOYSA-N
XLogP0.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.75
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

alpha-Hydroxyacetophenone
CID 68490
2-Hydroxy-1-phenyl-1-propanone
CID 101121
N-(1-hydroxy-2-oxo-2-phenylethyl)acetamide
CID 2830273
[2-(4-Fluoro-phenyl)-1-hydroxy-2-oxo-ethyl]-carbamic acid ethyl ester
CID 3101990
N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide
CID 3312295
2-[(Dimethylamino)methyl]-3-hydroxy-1-phenylpropan-1-one;hydrochloride
CID 16655605
Ammonium, (2-hydroxyethyl)dimethylphenacyl-, bromide
CID 213451
Ethanone, 2-(dimethylamino)-1-phenyl-
CID 137890
1-Propanone, 2-hydroxy-1-phenyl-, (2R)-
CID 11804935
(S)-2-hydroxypropiophenone
CID 10130043
2-Hydroxy-1-phenylbutan-1-one
CID 569922
(2R)-2-hydroxy-1-phenylbutan-1-one
CID 11789551

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-hydroxy-1-phenylethanone?
The IUPAC name of 2-(dimethylamino)-2-hydroxy-1-phenylethanone (CID 130028698) is 2-(dimethylamino)-2-hydroxy-1-phenylethanone.
What is the SMILES notation for 2-(dimethylamino)-2-hydroxy-1-phenylethanone?
The canonical SMILES for 2-(dimethylamino)-2-hydroxy-1-phenylethanone is CN(C)C(O)C(=O)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-2-hydroxy-1-phenylethanone?
The InChIKey is LYEXONBZZRPJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11(2)10(13)9(12)8-6-4-3-5-7-8/h3-7,10,13H,1-2H3.
What are the key properties of 2-(dimethylamino)-2-hydroxy-1-phenylethanone?
2-(dimethylamino)-2-hydroxy-1-phenylethanone has a molecular weight of 179.22 g/mol, XLogP of 0.75, 3 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-phenylethanone is sourced from PubChem (CID 130028698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).