5-chloro-2-(furan-2-ylmethoxy)benzonitrile

C12H8ClNO2 — CID 22661920

IUPAC5-chloro-2-(furan-2-ylmethoxy)benzonitrile
SMILESN#Cc1cc(Cl)ccc1OCc1ccco1
InChIInChI=1S/C12H8ClNO2/c13-10-3-4-12(9(6-10)7-14)16-8-11-2-1-5-15-11/h1-6H,8H2
InChIKeyQHGDDYKTVGZHNR-UHFFFAOYSA-N
MW233.65 g/mol
LogP3.38
Rot. Bonds3

About 5-chloro-2-(furan-2-ylmethoxy)benzonitrile

5-chloro-2-(furan-2-ylmethoxy)benzonitrile (PubChem CID 22661920) has the molecular formula C12H8ClNO2 and a molecular weight of 233.65 g/mol. Its IUPAC name is 5-chloro-2-(furan-2-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name5-chloro-2-(furan-2-ylmethoxy)benzonitrile
PubChem CID22661920
Molecular FormulaC12H8ClNO2
Molecular Weight233.65 g/mol
Exact Mass233.02
IUPAC Name5-chloro-2-(furan-2-ylmethoxy)benzonitrile
SMILESN#Cc1cc(Cl)ccc1OCc1ccco1
InChIInChI=1S/C12H8ClNO2/c13-10-3-4-12(9(6-10)7-14)16-8-11-2-1-5-15-11/h1-6H,8H2
InChIKeyQHGDDYKTVGZHNR-UHFFFAOYSA-N
XLogP3.38
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(furan-2-ylmethoxy)benzonitrile
CID 104712381
5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile
CID 22682686
2-(3-aminopropoxy)-5-chlorobenzonitrile
CID 62493723
5-chloro-2-(2-phenoxyethoxy)benzonitrile
CID 20989483
3-chloro-2-(furan-2-ylmethoxy)pyridine-4-carbonitrile
CID 107058734
5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile
CID 22661881
5-chloro-2-[2-(2-methylphenoxy)ethoxy]benzonitrile
CID 22682440
2-(1,3-benzodioxol-5-ylmethoxy)-5-chlorobenzonitrile
CID 62493397
2-[(5-bromofuran-2-yl)methoxy]-4-chlorobenzonitrile
CID 113277284
2-[(2,4,6-trichlorophenoxy)methyl]furan
CID 53443486
5-chloro-2-[2-(diethylamino)ethoxy]benzonitrile
CID 22685106
5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
CID 22683934

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(furan-2-ylmethoxy)benzonitrile?
The IUPAC name of 5-chloro-2-(furan-2-ylmethoxy)benzonitrile (CID 22661920) is 5-chloro-2-(furan-2-ylmethoxy)benzonitrile.
What is the SMILES notation for 5-chloro-2-(furan-2-ylmethoxy)benzonitrile?
The canonical SMILES for 5-chloro-2-(furan-2-ylmethoxy)benzonitrile is N#Cc1cc(Cl)ccc1OCc1ccco1.
What is the InChIKey of 5-chloro-2-(furan-2-ylmethoxy)benzonitrile?
The InChIKey is QHGDDYKTVGZHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO2/c13-10-3-4-12(9(6-10)7-14)16-8-11-2-1-5-15-11/h1-6H,8H2.
What are the key properties of 5-chloro-2-(furan-2-ylmethoxy)benzonitrile?
5-chloro-2-(furan-2-ylmethoxy)benzonitrile has a molecular weight of 233.65 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(furan-2-ylmethoxy)benzonitrile is sourced from PubChem (CID 22661920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).