5-amino-4,6-dimethoxybenzene-1,3-diol

C8H11NO4 — CID 45091349

IUPAC5-amino-4,6-dimethoxybenzene-1,3-diol
SMILESCOc1c(O)cc(O)c(OC)c1N
InChIInChI=1S/C8H11NO4/c1-12-7-4(10)3-5(11)8(13-2)6(7)9/h3,10-11H,9H2,1-2H3
InChIKeyJYCJWZNVXSQIQV-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.70
Rot. Bonds2

About 5-amino-4,6-dimethoxybenzene-1,3-diol

5-amino-4,6-dimethoxybenzene-1,3-diol (PubChem CID 45091349) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 5-amino-4,6-dimethoxybenzene-1,3-diol.

Molecular Properties

Compound Name5-amino-4,6-dimethoxybenzene-1,3-diol
PubChem CID45091349
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name5-amino-4,6-dimethoxybenzene-1,3-diol
SMILESCOc1c(O)cc(O)c(OC)c1N
InChIInChI=1S/C8H11NO4/c1-12-7-4(10)3-5(11)8(13-2)6(7)9/h3,10-11H,9H2,1-2H3
InChIKeyJYCJWZNVXSQIQV-UHFFFAOYSA-N
XLogP0.70
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4,6-dimethoxybenzene-1,3-diol?
The IUPAC name of 5-amino-4,6-dimethoxybenzene-1,3-diol (CID 45091349) is 5-amino-4,6-dimethoxybenzene-1,3-diol.
What is the SMILES notation for 5-amino-4,6-dimethoxybenzene-1,3-diol?
The canonical SMILES for 5-amino-4,6-dimethoxybenzene-1,3-diol is COc1c(O)cc(O)c(OC)c1N.
What is the InChIKey of 5-amino-4,6-dimethoxybenzene-1,3-diol?
The InChIKey is JYCJWZNVXSQIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-12-7-4(10)3-5(11)8(13-2)6(7)9/h3,10-11H,9H2,1-2H3.
What are the key properties of 5-amino-4,6-dimethoxybenzene-1,3-diol?
5-amino-4,6-dimethoxybenzene-1,3-diol has a molecular weight of 185.18 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,6-dimethoxybenzene-1,3-diol is sourced from PubChem (CID 45091349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).