4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorobenzonitrile

C15H16ClNO — CID 79552038

IUPAC4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorobenzonitrile
SMILESN#Cc1ccc(OCC2CC3CCC2C3)c(Cl)c1
InChIInChI=1S/C15H16ClNO/c16-14-7-11(8-17)2-4-15(14)18-9-13-6-10-1-3-12(13)5-10/h2,4,7,10,12-13H,1,3,5-6,9H2
InChIKeyNYXNDPRKGYGQJH-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.03
Rot. Bonds3

About 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorobenzonitrile

4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorobenzonitrile (PubChem CID 79552038) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorobenzonitrile.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorobenzonitrile
PubChem CID79552038
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorobenzonitrile
SMILESN#Cc1ccc(OCC2CC3CCC2C3)c(Cl)c1
InChIInChI=1S/C15H16ClNO/c16-14-7-11(8-17)2-4-15(14)18-9-13-6-10-1-3-12(13)5-10/h2,4,7,10,12-13H,1,3,5-6,9H2
InChIKeyNYXNDPRKGYGQJH-UHFFFAOYSA-N
XLogP4.03
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chlorobenzonitrile
CID 63683009
3-chloro-4-(cyclohexylmethoxy)benzonitrile
CID 60667232
3-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorophenyl]prop-2-enoic acid
CID 79563440
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-chloro-4-cyanophenoxy)acetamide
CID 98750854
3-chloro-4-[[(2R)-oxiran-2-yl]methoxy]benzonitrile
CID 130564095
3-chloro-4-[(3-methylcyclohexyl)methoxy]benzonitrile
CID 114197110
2-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]bicyclo[2.2.1]heptane
CID 114675522
3-chloro-4-(2,3-dichloroprop-2-enoxy)benzonitrile
CID 79168432
2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine
CID 79563052
4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline
CID 79554738
[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol
CID 79552519
3-chloro-4-cyclopentyloxybenzonitrile
CID 58439107

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorobenzonitrile?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorobenzonitrile (CID 79552038) is 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorobenzonitrile.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorobenzonitrile?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorobenzonitrile is N#Cc1ccc(OCC2CC3CCC2C3)c(Cl)c1.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorobenzonitrile?
The InChIKey is NYXNDPRKGYGQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-14-7-11(8-17)2-4-15(14)18-9-13-6-10-1-3-12(13)5-10/h2,4,7,10,12-13H,1,3,5-6,9H2.
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorobenzonitrile?
4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorobenzonitrile has a molecular weight of 261.75 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorobenzonitrile is sourced from PubChem (CID 79552038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).