2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile

C18H16ClNO — CID 102724073

IUPAC2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCC2CCCc3ccccc32)cc1Cl
InChIInChI=1S/C18H16ClNO/c19-18-10-16(9-8-14(18)11-20)21-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-2,4,7-10,15H,3,5-6,12H2
InChIKeyLINILQRXHQBVPI-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.71
Rot. Bonds3

About 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile

2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile (PubChem CID 102724073) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile
PubChem CID102724073
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCC2CCCc3ccccc32)cc1Cl
InChIInChI=1S/C18H16ClNO/c19-18-10-16(9-8-14(18)11-20)21-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-2,4,7-10,15H,3,5-6,12H2
InChIKeyLINILQRXHQBVPI-UHFFFAOYSA-N
XLogP4.71
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63772089
N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771297
1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole
CID 116793965
3-chloro-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 107715792
2-chloro-4-(oxiran-2-ylmethoxy)benzonitrile
CID 87485257
[2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine
CID 114318313
1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
CID 83056818
2-chloro-4-(2-hydroxyethoxy)benzonitrile
CID 62948337
2-chloro-4-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103134259
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid
CID 66437326
2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
CID 102674643
1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene
CID 107691161

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile?
The IUPAC name of 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile (CID 102724073) is 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile.
What is the SMILES notation for 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile?
The canonical SMILES for 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile is N#Cc1ccc(OCC2CCCc3ccccc32)cc1Cl.
What is the InChIKey of 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile?
The InChIKey is LINILQRXHQBVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c19-18-10-16(9-8-14(18)11-20)21-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-2,4,7-10,15H,3,5-6,12H2.
What are the key properties of 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile?
2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile has a molecular weight of 297.79 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)benzonitrile is sourced from PubChem (CID 102724073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).