ISDA: 9UDJ

A1EOW

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1EOW

IUPAC Name: 4-(dimethylamino)phenol

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 H11 N O

Molecular weight: 137.179

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 1

Rotatable Bonds: 4

Heavy Atoms: 10

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	4-(dimethylamino)phenol

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C8H11NO/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3
InChIKey	InChI	1.06	JVVRCYWZTJLJSG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)c1ccc(O)cc1
SMILES	CACTVS	3.385	CN(C)c1ccc(O)cc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN(C)c1ccc(cc1)O
SMILES	OpenEye OEToolkits	2.0.7	CN(C)c1ccc(cc1)O

Chemical Database Mapping

Database	Reference ID
DrugBank	DB13549
ChEMBL	CHEMBL3707216
PubChem	22174
ChEBI	CHEBI:135941
SureChEMBL	224308
HMDB	HMDB0246306