2-aminodibenzofuran-3-ol

C12H9NO2 — CID 20610456

IUPAC2-aminodibenzofuran-3-ol
SMILESNc1cc2c(cc1O)oc1ccccc12
InChIInChI=1S/C12H9NO2/c13-9-5-8-7-3-1-2-4-11(7)15-12(8)6-10(9)14/h1-6,14H,13H2
InChIKeyZRFICQZRFWJZAT-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.87
Rot. Bonds

About 2-aminodibenzofuran-3-ol

2-aminodibenzofuran-3-ol (PubChem CID 20610456) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-aminodibenzofuran-3-ol.

Molecular Properties

Compound Name2-aminodibenzofuran-3-ol
PubChem CID20610456
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name2-aminodibenzofuran-3-ol
SMILESNc1cc2c(cc1O)oc1ccccc12
InChIInChI=1S/C12H9NO2/c13-9-5-8-7-3-1-2-4-11(7)15-12(8)6-10(9)14/h1-6,14H,13H2
InChIKeyZRFICQZRFWJZAT-UHFFFAOYSA-N
XLogP2.87
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
2-(3-aminodibenzofuran-2-yl)propan-2-ol
CID 170318792
dibenzofuran-2-amine
CID 19405
3-aminoanthracene-2,9,10-triol
CID 90904436
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
2-aminodibenzofuran-4-ol
CID 68822281
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
(2-hydroxydibenzofuran-3-yl) hydrogen carbonate
CID 70402256
2,3-diphenyldibenzofuran
CID 12699263

Frequently Asked Questions

What is the IUPAC name of 2-aminodibenzofuran-3-ol?
The IUPAC name of 2-aminodibenzofuran-3-ol (CID 20610456) is 2-aminodibenzofuran-3-ol.
What is the SMILES notation for 2-aminodibenzofuran-3-ol?
The canonical SMILES for 2-aminodibenzofuran-3-ol is Nc1cc2c(cc1O)oc1ccccc12.
What is the InChIKey of 2-aminodibenzofuran-3-ol?
The InChIKey is ZRFICQZRFWJZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c13-9-5-8-7-3-1-2-4-11(7)15-12(8)6-10(9)14/h1-6,14H,13H2.
What are the key properties of 2-aminodibenzofuran-3-ol?
2-aminodibenzofuran-3-ol has a molecular weight of 199.21 g/mol, XLogP of 2.87, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminodibenzofuran-3-ol is sourced from PubChem (CID 20610456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).