[4-(dibenzofuran-3-yloxymethyl)furan-2-yl] hydrogen carbonate

C18H12O6 — CID 69146489

IUPAC[4-(dibenzofuran-3-yloxymethyl)furan-2-yl] hydrogen carbonate
SMILESO=C(O)Oc1cc(COc2ccc3c(c2)oc2ccccc23)co1
InChIInChI=1S/C18H12O6/c19-18(20)24-17-7-11(10-22-17)9-21-12-5-6-14-13-3-1-2-4-15(13)23-16(14)8-12/h1-8,10H,9H2,(H,19,20)
InChIKeyZJTUBRFYTXAMJE-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.81
Rot. Bonds4

About [4-(dibenzofuran-3-yloxymethyl)furan-2-yl] hydrogen carbonate

[4-(dibenzofuran-3-yloxymethyl)furan-2-yl] hydrogen carbonate (PubChem CID 69146489) has the molecular formula C18H12O6 and a molecular weight of 324.29 g/mol. Its IUPAC name is [4-(dibenzofuran-3-yloxymethyl)furan-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[4-(dibenzofuran-3-yloxymethyl)furan-2-yl] hydrogen carbonate
PubChem CID69146489
Molecular FormulaC18H12O6
Molecular Weight324.29 g/mol
Exact Mass324.06
IUPAC Name[4-(dibenzofuran-3-yloxymethyl)furan-2-yl] hydrogen carbonate
SMILESO=C(O)Oc1cc(COc2ccc3c(c2)oc2ccccc23)co1
InChIInChI=1S/C18H12O6/c19-18(20)24-17-7-11(10-22-17)9-21-12-5-6-14-13-3-1-2-4-15(13)23-16(14)8-12/h1-8,10H,9H2,(H,19,20)
InChIKeyZJTUBRFYTXAMJE-UHFFFAOYSA-N
XLogP4.81
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564
(3-bromo-2-oxo-7-phenylmethoxychromen-4-yl) acetate
CID 46845317
2-dibenzofuran-3-yloxyethanamine
CID 18615231
(2-hydroxydibenzofuran-3-yl) hydrogen carbonate
CID 70402256
7-butoxy-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 118149901
8-bromo-3-phenylmethoxybenzo[c]chromen-6-one
CID 164598270
2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 782946
dibenzofuran-2-yl 2-phenoxyacetate
CID 2591809
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate
CID 91423659
(2-oxochromen-4-yl) 4-phenylmethoxybenzoate
CID 3794106
3-hydroxy-7-methoxy-4-phenylmethoxychromen-2-one
CID 22402268

Frequently Asked Questions

What is the IUPAC name of [4-(dibenzofuran-3-yloxymethyl)furan-2-yl] hydrogen carbonate?
The IUPAC name of [4-(dibenzofuran-3-yloxymethyl)furan-2-yl] hydrogen carbonate (CID 69146489) is [4-(dibenzofuran-3-yloxymethyl)furan-2-yl] hydrogen carbonate.
What is the SMILES notation for [4-(dibenzofuran-3-yloxymethyl)furan-2-yl] hydrogen carbonate?
The canonical SMILES for [4-(dibenzofuran-3-yloxymethyl)furan-2-yl] hydrogen carbonate is O=C(O)Oc1cc(COc2ccc3c(c2)oc2ccccc23)co1.
What is the InChIKey of [4-(dibenzofuran-3-yloxymethyl)furan-2-yl] hydrogen carbonate?
The InChIKey is ZJTUBRFYTXAMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O6/c19-18(20)24-17-7-11(10-22-17)9-21-12-5-6-14-13-3-1-2-4-15(13)23-16(14)8-12/h1-8,10H,9H2,(H,19,20).
What are the key properties of [4-(dibenzofuran-3-yloxymethyl)furan-2-yl] hydrogen carbonate?
[4-(dibenzofuran-3-yloxymethyl)furan-2-yl] hydrogen carbonate has a molecular weight of 324.29 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dibenzofuran-3-yloxymethyl)furan-2-yl] hydrogen carbonate is sourced from PubChem (CID 69146489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).