Details of the Drug

General Information of Drug (ID: DM50QMB)

Drug Name

Benzoin

Synonyms

BENZOIN; 119-53-9; 2-Hydroxy-1,2-diphenylethanone; 2-Hydroxy-2-phenylacetophenone; Benzoylphenylcarbinol; Benzoin tincture; Ethanone, 2-hydroxy-1,2-diphenyl-; Bitter almond oil camphor; Phenylbenzoyl carbinol; 2-hydroxy-1,2-diphenylethan-1-one; (+-)-Benzoin; DL-BENZOIN; alpha-Hydroxybenzyl phenyl ketone; 579-44-2; alpha-Hydroxy-alpha-phenylacetophenone; Benzoin resin; Phenyl-alpha-hydroxybenzyl ketone; NCI-C50011; Acetophenone, 2-hydroxy-2-phenyl-; Benzoin gum; Bitter-almond-oil camphor; Benzoin Siam; Benzoin extract (resinoid)

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

212.24

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C14H12O2
IUPAC Name: 2-hydroxy-1,2-diphenylethanone
Canonical SMILES: C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O
InChI: InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
InChIKey: ISAOCJYIOMOJEB-UHFFFAOYSA-N