3-methoxy-5-[(5-methylfuran-2-yl)methoxy]benzonitrile

C14H13NO3 — CID 103567082

IUPAC3-methoxy-5-[(5-methylfuran-2-yl)methoxy]benzonitrile
SMILESCOc1cc(C#N)cc(OCc2ccc(C)o2)c1
InChIInChI=1S/C14H13NO3/c1-10-3-4-12(18-10)9-17-14-6-11(8-15)5-13(7-14)16-2/h3-7H,9H2,1-2H3
InChIKeyZWHCVLUNKSSECS-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.05
Rot. Bonds4

About 3-methoxy-5-[(5-methylfuran-2-yl)methoxy]benzonitrile

3-methoxy-5-[(5-methylfuran-2-yl)methoxy]benzonitrile (PubChem CID 103567082) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-methoxy-5-[(5-methylfuran-2-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-methoxy-5-[(5-methylfuran-2-yl)methoxy]benzonitrile
PubChem CID103567082
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name3-methoxy-5-[(5-methylfuran-2-yl)methoxy]benzonitrile
SMILESCOc1cc(C#N)cc(OCc2ccc(C)o2)c1
InChIInChI=1S/C14H13NO3/c1-10-3-4-12(18-10)9-17-14-6-11(8-15)5-13(7-14)16-2/h3-7H,9H2,1-2H3
InChIKeyZWHCVLUNKSSECS-UHFFFAOYSA-N
XLogP3.05
TPSA55.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile
CID 103566924
4-[(3,5-dimethoxyphenoxy)methyl]benzonitrile
CID 7707174
3-[(5-chlorothiophen-2-yl)methoxy]-5-methoxybenzonitrile
CID 103566952
3-[(3-amino-4-methoxyphenyl)methoxy]-5-methoxybenzonitrile
CID 103566547
4-[(4-methoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481488
3-[(2-amino-4-bromophenyl)methoxy]-5-methoxybenzonitrile
CID 103566498
3-[(3-cyano-5-methoxyphenoxy)methyl]-5-fluorobenzonitrile
CID 103566793
3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile
CID 103567180
3-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
CID 103566909
2-[(3-cyano-5-methoxyphenoxy)methyl]-4-fluorobenzonitrile
CID 103577959
3-methoxy-5-prop-2-enoxybenzonitrile
CID 103566833
3-methoxy-5-(2-methylpropoxy)benzonitrile
CID 103566832

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[(5-methylfuran-2-yl)methoxy]benzonitrile?
The IUPAC name of 3-methoxy-5-[(5-methylfuran-2-yl)methoxy]benzonitrile (CID 103567082) is 3-methoxy-5-[(5-methylfuran-2-yl)methoxy]benzonitrile.
What is the SMILES notation for 3-methoxy-5-[(5-methylfuran-2-yl)methoxy]benzonitrile?
The canonical SMILES for 3-methoxy-5-[(5-methylfuran-2-yl)methoxy]benzonitrile is COc1cc(C#N)cc(OCc2ccc(C)o2)c1.
What is the InChIKey of 3-methoxy-5-[(5-methylfuran-2-yl)methoxy]benzonitrile?
The InChIKey is ZWHCVLUNKSSECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-3-4-12(18-10)9-17-14-6-11(8-15)5-13(7-14)16-2/h3-7H,9H2,1-2H3.
What are the key properties of 3-methoxy-5-[(5-methylfuran-2-yl)methoxy]benzonitrile?
3-methoxy-5-[(5-methylfuran-2-yl)methoxy]benzonitrile has a molecular weight of 243.26 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[(5-methylfuran-2-yl)methoxy]benzonitrile is sourced from PubChem (CID 103567082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).