methyl dibenzofuran-2-carboxylate

C14H10O3 — CID 3702628

IUPACmethyl dibenzofuran-2-carboxylate
SMILESCOC(=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C14H10O3/c1-16-14(15)9-6-7-13-11(8-9)10-4-2-3-5-12(10)17-13/h2-8H,1H3
InChIKeyQSQTUIVYNKZDHU-UHFFFAOYSA-N
MW226.23 g/mol
LogP3.37
Rot. Bonds1

About methyl dibenzofuran-2-carboxylate

methyl dibenzofuran-2-carboxylate (PubChem CID 3702628) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl dibenzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl dibenzofuran-2-carboxylate
PubChem CID3702628
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Namemethyl dibenzofuran-2-carboxylate
SMILESCOC(=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C14H10O3/c1-16-14(15)9-6-7-13-11(8-9)10-4-2-3-5-12(10)17-13/h2-8H,1H3
InChIKeyQSQTUIVYNKZDHU-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
dibenzofuran-2-yl 3,4-dimethoxybenzoate
CID 4003499
methyl 4-hydroxy-2-oxochromene-6-carboxylate
CID 54690204
1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane
CID 170789790
methyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 18876182
N-propyldibenzofuran-2-carboxamide
CID 19048225
methyl [1]benzofuro[2,3-c]pyridine-3-carboxylate
CID 69362978
(2,5-dioxopyrrolidin-1-yl) dibenzofuran-2-carboxylate
CID 145370236
4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid
CID 54109960
1-dibenzofuran-2-yl-3-methylbutan-1-one
CID 43160223
2-prop-1-en-2-yldibenzofuran
CID 142504770

Frequently Asked Questions

What is the IUPAC name of methyl dibenzofuran-2-carboxylate?
The IUPAC name of methyl dibenzofuran-2-carboxylate (CID 3702628) is methyl dibenzofuran-2-carboxylate.
What is the SMILES notation for methyl dibenzofuran-2-carboxylate?
The canonical SMILES for methyl dibenzofuran-2-carboxylate is COC(=O)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of methyl dibenzofuran-2-carboxylate?
The InChIKey is QSQTUIVYNKZDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c1-16-14(15)9-6-7-13-11(8-9)10-4-2-3-5-12(10)17-13/h2-8H,1H3.
What are the key properties of methyl dibenzofuran-2-carboxylate?
methyl dibenzofuran-2-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl dibenzofuran-2-carboxylate is sourced from PubChem (CID 3702628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).