ISDA: 27RF

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1MHS

IUPAC Name: 2-phenyl-hydroquinone

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc(-c2ccccc2)cc1

InChI: InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H

InChI Key: ZUOUZKKEUPVFJK-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C12 H10 O2

Molecular weight: 186.207

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 2

Rotatable Bonds: 3

Heavy Atoms: 14

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	2-phenylbenzene-1,4-diol

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H
InChIKey	InChI	1.06	XCZKKZXWDBOGPA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1ccc(O)c(c1)c2ccccc2
SMILES	CACTVS	3.385	Oc1ccc(O)c(c1)c2ccccc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2cc(ccc2O)O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2cc(ccc2O)O