(2-hydroxydibenzofuran-3-yl) hydrogen carbonate

C13H8O5 — CID 70402256

IUPAC(2-hydroxydibenzofuran-3-yl) hydrogen carbonate
SMILESO=C(O)Oc1cc2oc3ccccc3c2cc1O
InChIInChI=1S/C13H8O5/c14-9-5-8-7-3-1-2-4-10(7)17-11(8)6-12(9)18-13(15)16/h1-6,14H,(H,15,16)
InChIKeyKTJWMUWZJZTRDP-UHFFFAOYSA-N
MW244.20 g/mol
LogP3.35
Rot. Bonds1

About (2-hydroxydibenzofuran-3-yl) hydrogen carbonate

(2-hydroxydibenzofuran-3-yl) hydrogen carbonate (PubChem CID 70402256) has the molecular formula C13H8O5 and a molecular weight of 244.20 g/mol. Its IUPAC name is (2-hydroxydibenzofuran-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-hydroxydibenzofuran-3-yl) hydrogen carbonate
PubChem CID70402256
Molecular FormulaC13H8O5
Molecular Weight244.20 g/mol
Exact Mass244.04
IUPAC Name(2-hydroxydibenzofuran-3-yl) hydrogen carbonate
SMILESO=C(O)Oc1cc2oc3ccccc3c2cc1O
InChIInChI=1S/C13H8O5/c14-9-5-8-7-3-1-2-4-10(7)17-11(8)6-12(9)18-13(15)16/h1-6,14H,(H,15,16)
InChIKeyKTJWMUWZJZTRDP-UHFFFAOYSA-N
XLogP3.35
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-diphenyldibenzofuran
CID 12699263
2-aminodibenzofuran-3-ol
CID 20610456
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-formyloxydibenzofuran-2-yl)phenyl] formate
CID 156677793
1-dibenzofuran-2-yl-2-phenylethanone
CID 15691957
(4-ethyl-6-hydroxy-2-oxochromen-7-yl) benzoate
CID 176776956
[4-(dibenzofuran-3-yloxymethyl)furan-2-yl] hydrogen carbonate
CID 69146489
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
dibenzofuran-3-carboxylate
CID 51860493
dibenzofuran;methyl phenyl carbonate
CID 158446922
dibenzofuran-2-yl 2-phenoxyacetate
CID 2591809
dibenzofuran;hydrofluoride
CID 158307405

Frequently Asked Questions

What is the IUPAC name of (2-hydroxydibenzofuran-3-yl) hydrogen carbonate?
The IUPAC name of (2-hydroxydibenzofuran-3-yl) hydrogen carbonate (CID 70402256) is (2-hydroxydibenzofuran-3-yl) hydrogen carbonate.
What is the SMILES notation for (2-hydroxydibenzofuran-3-yl) hydrogen carbonate?
The canonical SMILES for (2-hydroxydibenzofuran-3-yl) hydrogen carbonate is O=C(O)Oc1cc2oc3ccccc3c2cc1O.
What is the InChIKey of (2-hydroxydibenzofuran-3-yl) hydrogen carbonate?
The InChIKey is KTJWMUWZJZTRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O5/c14-9-5-8-7-3-1-2-4-10(7)17-11(8)6-12(9)18-13(15)16/h1-6,14H,(H,15,16).
What are the key properties of (2-hydroxydibenzofuran-3-yl) hydrogen carbonate?
(2-hydroxydibenzofuran-3-yl) hydrogen carbonate has a molecular weight of 244.20 g/mol, XLogP of 3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxydibenzofuran-3-yl) hydrogen carbonate is sourced from PubChem (CID 70402256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).