2-(dimethylamino)benzene-1,3-diol

C8H11NO2 — CID 21407142

IUPAC2-(dimethylamino)benzene-1,3-diol
SMILESCN(C)c1c(O)cccc1O
InChIInChI=1S/C8H11NO2/c1-9(2)8-6(10)4-3-5-7(8)11/h3-5,10-11H,1-2H3
InChIKeyPKWHDYZGUNJGJR-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.16
Rot. Bonds1

About 2-(dimethylamino)benzene-1,3-diol

2-(dimethylamino)benzene-1,3-diol (PubChem CID 21407142) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(dimethylamino)benzene-1,3-diol.

Molecular Properties

Compound Name2-(dimethylamino)benzene-1,3-diol
PubChem CID21407142
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(dimethylamino)benzene-1,3-diol
SMILESCN(C)c1c(O)cccc1O
InChIInChI=1S/C8H11NO2/c1-9(2)8-6(10)4-3-5-7(8)11/h3-5,10-11H,1-2H3
InChIKeyPKWHDYZGUNJGJR-UHFFFAOYSA-N
XLogP1.16
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)benzene-1,3-diol?
The IUPAC name of 2-(dimethylamino)benzene-1,3-diol (CID 21407142) is 2-(dimethylamino)benzene-1,3-diol.
What is the SMILES notation for 2-(dimethylamino)benzene-1,3-diol?
The canonical SMILES for 2-(dimethylamino)benzene-1,3-diol is CN(C)c1c(O)cccc1O.
What is the InChIKey of 2-(dimethylamino)benzene-1,3-diol?
The InChIKey is PKWHDYZGUNJGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-9(2)8-6(10)4-3-5-7(8)11/h3-5,10-11H,1-2H3.
What are the key properties of 2-(dimethylamino)benzene-1,3-diol?
2-(dimethylamino)benzene-1,3-diol has a molecular weight of 153.18 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)benzene-1,3-diol is sourced from PubChem (CID 21407142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).