1-methoxydibenzofuran-2-carbonitrile

C14H9NO2 — CID 140513066

IUPAC1-methoxydibenzofuran-2-carbonitrile
SMILESCOc1c(C#N)ccc2oc3ccccc3c12
InChIInChI=1S/C14H9NO2/c1-16-14-9(8-15)6-7-12-13(14)10-4-2-3-5-11(10)17-12/h2-7H,1H3
InChIKeyLIXZQXRTRGXZMI-UHFFFAOYSA-N
MW223.23 g/mol
LogP3.47
Rot. Bonds1

About 1-methoxydibenzofuran-2-carbonitrile

1-methoxydibenzofuran-2-carbonitrile (PubChem CID 140513066) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-methoxydibenzofuran-2-carbonitrile.

Molecular Properties

Compound Name1-methoxydibenzofuran-2-carbonitrile
PubChem CID140513066
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name1-methoxydibenzofuran-2-carbonitrile
SMILESCOc1c(C#N)ccc2oc3ccccc3c12
InChIInChI=1S/C14H9NO2/c1-16-14-9(8-15)6-7-12-13(14)10-4-2-3-5-11(10)17-12/h2-7H,1H3
InChIKeyLIXZQXRTRGXZMI-UHFFFAOYSA-N
XLogP3.47
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(bromomethyl)-4-methoxy-3-methyl-1-benzofuran-5-carbonitrile
CID 68714075
1,5-dimethoxynaphthalene-2,6-dicarbonitrile
CID 169050323
12,13-dimethoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene-9,16-dicarbonitrile
CID 102125962
4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile
CID 170375637
dibenzofuran;hydrate
CID 70610865
4-methoxy-1,3-benzoxazole-5-carbonitrile
CID 138488900
4,8-dimethoxynaphthalene-1-carbonitrile
CID 86178787
4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]benzene-1,2-dicarbonitrile
CID 169061488
4-[dibenzofuran-1-yl(methyl)amino]benzonitrile
CID 170263045
2-methoxy-3-methyl-[1]benzofuro[3,2-b]pyridine
CID 58969272
2,4-bis([1]benzofuro[3,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572233
dibenzofuran;dihydrate;dihydrochloride
CID 21327105

Frequently Asked Questions

What is the IUPAC name of 1-methoxydibenzofuran-2-carbonitrile?
The IUPAC name of 1-methoxydibenzofuran-2-carbonitrile (CID 140513066) is 1-methoxydibenzofuran-2-carbonitrile.
What is the SMILES notation for 1-methoxydibenzofuran-2-carbonitrile?
The canonical SMILES for 1-methoxydibenzofuran-2-carbonitrile is COc1c(C#N)ccc2oc3ccccc3c12.
What is the InChIKey of 1-methoxydibenzofuran-2-carbonitrile?
The InChIKey is LIXZQXRTRGXZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c1-16-14-9(8-15)6-7-12-13(14)10-4-2-3-5-11(10)17-12/h2-7H,1H3.
What are the key properties of 1-methoxydibenzofuran-2-carbonitrile?
1-methoxydibenzofuran-2-carbonitrile has a molecular weight of 223.23 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxydibenzofuran-2-carbonitrile is sourced from PubChem (CID 140513066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).