ISDA: 6CH6

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: F0J

IUPAC Name: 2,4-dimethoxyphenol

Formal Charge: 0

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccccc1

InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

InChI Key: UHOVQNZJYSORNB-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C8 H10 O3

Molecular weight: 154.163

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 1

Rotatable Bonds: 5

Heavy Atoms: 11

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	2,4-dimethoxyphenol
OpenEye OEToolkits	2.0.6	2,4-dimethoxyphenol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1ccc(c(OC)c1)O
InChI	InChI	1.03	InChI=1S/C8H10O3/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5,9H,1-2H3
InChIKey	InChI	1.03	MNVMYTVDDOXZLS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(O)c(OC)c1
SMILES	CACTVS	3.385	COc1ccc(O)c(OC)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	COc1ccc(c(c1)OC)O
SMILES	OpenEye OEToolkits	2.0.6	COc1ccc(c(c1)OC)O

Chemical Database Mapping

Database	Reference ID
PubChem	593006
ZINC	ZINC000013376192
SureChEMBL	SCHEMBL595280