7-amino-2,3-dihydro-1,4-benzodioxin-6-ol

C8H9NO3 — CID 43164957

IUPAC7-amino-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESNc1cc2c(cc1O)OCCO2
InChIInChI=1S/C8H9NO3/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4,10H,1-2,9H2
InChIKeyJCAVVLKPUGQVKH-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.75
Rot. Bonds

About 7-amino-2,3-dihydro-1,4-benzodioxin-6-ol

7-amino-2,3-dihydro-1,4-benzodioxin-6-ol (PubChem CID 43164957) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 7-amino-2,3-dihydro-1,4-benzodioxin-6-ol.

Molecular Properties

Compound Name7-amino-2,3-dihydro-1,4-benzodioxin-6-ol
PubChem CID43164957
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name7-amino-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESNc1cc2c(cc1O)OCCO2
InChIInChI=1S/C8H9NO3/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4,10H,1-2,9H2
InChIKeyJCAVVLKPUGQVKH-UHFFFAOYSA-N
XLogP0.75
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol
CID 131107943
ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 145173589
2,5-diaminobenzene-1,4-diol;dihydrobromide
CID 70601230
7-(2-aminopropyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117298618
7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117298496
5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene
CID 20661294
2-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845728
2-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-methylamino]ethanol
CID 43167700
1,3-benzodioxole-5,6-diamine;dihydrate
CID 175096617
6-piperazin-1-yl-2,3-dihydro-1,4-benzodioxin-7-amine
CID 62137118
7-[1-(aminomethyl)cyclobutyl]-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117342304
1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-one
CID 2925580

Frequently Asked Questions

What is the IUPAC name of 7-amino-2,3-dihydro-1,4-benzodioxin-6-ol?
The IUPAC name of 7-amino-2,3-dihydro-1,4-benzodioxin-6-ol (CID 43164957) is 7-amino-2,3-dihydro-1,4-benzodioxin-6-ol.
What is the SMILES notation for 7-amino-2,3-dihydro-1,4-benzodioxin-6-ol?
The canonical SMILES for 7-amino-2,3-dihydro-1,4-benzodioxin-6-ol is Nc1cc2c(cc1O)OCCO2.
What is the InChIKey of 7-amino-2,3-dihydro-1,4-benzodioxin-6-ol?
The InChIKey is JCAVVLKPUGQVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4,10H,1-2,9H2.
What are the key properties of 7-amino-2,3-dihydro-1,4-benzodioxin-6-ol?
7-amino-2,3-dihydro-1,4-benzodioxin-6-ol has a molecular weight of 167.16 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,3-dihydro-1,4-benzodioxin-6-ol is sourced from PubChem (CID 43164957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).