dibenzofuran-1-yl acetate

C14H10O3 — CID 14227245

IUPACdibenzofuran-1-yl acetate
SMILESCC(=O)Oc1cccc2oc3ccccc3c12
InChIInChI=1S/C14H10O3/c1-9(15)16-12-7-4-8-13-14(12)10-5-2-3-6-11(10)17-13/h2-8H,1H3
InChIKeyXKJLDOQGGPNEJD-UHFFFAOYSA-N
MW226.23 g/mol
LogP3.51
Rot. Bonds1

About dibenzofuran-1-yl acetate

dibenzofuran-1-yl acetate (PubChem CID 14227245) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is dibenzofuran-1-yl acetate.

Molecular Properties

Compound Namedibenzofuran-1-yl acetate
PubChem CID14227245
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Namedibenzofuran-1-yl acetate
SMILESCC(=O)Oc1cccc2oc3ccccc3c12
InChIInChI=1S/C14H10O3/c1-9(15)16-12-7-4-8-13-14(12)10-5-2-3-6-11(10)17-13/h2-8H,1H3
InChIKeyXKJLDOQGGPNEJD-UHFFFAOYSA-N
XLogP3.51
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7-methyldibenzofuran-1-yl) acetate
CID 69395963
triphenylen-1-yl acetate
CID 87276472
(3,5-diacetyloxy-2-oxochromen-4-yl) benzoate
CID 19929936
(2-oxochromen-5-yl) acetate
CID 12853206
[2-acetyloxy-3-(3-acetyloxy-4-oxochromen-2-yl)phenyl] acetate
CID 134303208
1-benzofuran-3-yl acetate
CID 2769621
naphthalen-1-yl dibenzofuran-1-carboxylate
CID 134956412
4-dibenzofuran-1-yloxybutanoic acid
CID 23223511
bis(9-oxoxanthen-1-yl) 2,3-dihydroxybutanedioate
CID 175499690
(4-acetyloxy-5-methoxy-2-oxochromen-3-yl) benzoate
CID 19929720
[4-oxo-2-(3,4,5-triacetyloxyphenyl)chromen-5-yl] acetate
CID 71403984
(6-acetyloxy-12-oxobenzo[b]xanthen-11-yl) acetate
CID 71322344

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-1-yl acetate?
The IUPAC name of dibenzofuran-1-yl acetate (CID 14227245) is dibenzofuran-1-yl acetate.
What is the SMILES notation for dibenzofuran-1-yl acetate?
The canonical SMILES for dibenzofuran-1-yl acetate is CC(=O)Oc1cccc2oc3ccccc3c12.
What is the InChIKey of dibenzofuran-1-yl acetate?
The InChIKey is XKJLDOQGGPNEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c1-9(15)16-12-7-4-8-13-14(12)10-5-2-3-6-11(10)17-13/h2-8H,1H3.
What are the key properties of dibenzofuran-1-yl acetate?
dibenzofuran-1-yl acetate has a molecular weight of 226.23 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-1-yl acetate is sourced from PubChem (CID 14227245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).