3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile

C17H15NO — CID 102817746

IUPAC3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile
SMILESN#Cc1cccc(OC2CCCc3ccccc32)c1
InChIInChI=1S/C17H15NO/c18-12-13-5-3-8-15(11-13)19-17-10-4-7-14-6-1-2-9-16(14)17/h1-3,5-6,8-9,11,17H,4,7,10H2
InChIKeyYNROAONLUALISL-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.01
Rot. Bonds2

About 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile

3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile (PubChem CID 102817746) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile
PubChem CID102817746
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile
SMILESN#Cc1cccc(OC2CCCc3ccccc32)c1
InChIInChI=1S/C17H15NO/c18-12-13-5-3-8-15(11-13)19-17-10-4-7-14-6-1-2-9-16(14)17/h1-3,5-6,8-9,11,17H,4,7,10H2
InChIKeyYNROAONLUALISL-UHFFFAOYSA-N
XLogP4.01
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile
CID 81287430
2-[2-amino-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]acetonitrile
CID 102624855
2-(3-cyanophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4819137
2-(3-cyanophenoxy)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9457337
3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile
CID 62683859
3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile
CID 22608163
3-(2-cyanocyclopentyl)oxybenzonitrile
CID 43292493
2-bromo-3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile
CID 107534235
N-(1,2,3,4-tetrahydronaphthalen-1-yloxy)methanimine
CID 174418938
3-piperidin-3-yloxybenzonitrile
CID 22309128
3-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]benzonitrile
CID 60918207
3-(3-hydroxycyclohexyl)oxybenzonitrile
CID 117052718

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile?
The IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile (CID 102817746) is 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile.
What is the SMILES notation for 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile?
The canonical SMILES for 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile is N#Cc1cccc(OC2CCCc3ccccc32)c1.
What is the InChIKey of 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile?
The InChIKey is YNROAONLUALISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c18-12-13-5-3-8-15(11-13)19-17-10-4-7-14-6-1-2-9-16(14)17/h1-3,5-6,8-9,11,17H,4,7,10H2.
What are the key properties of 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile?
3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile has a molecular weight of 249.31 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile is sourced from PubChem (CID 102817746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).