5-(1-adamantyl)-2-hydroxybenzonitrile

C17H19NO — CID 132587298

IUPAC5-(1-adamantyl)-2-hydroxybenzonitrile
SMILESN#Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1O
InChIInChI=1S/C17H19NO/c18-10-14-6-15(1-2-16(14)19)17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,6,11-13,19H,3-5,7-9H2
InChIKeySHARZBFLMYHIND-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.73
Rot. Bonds1

About 5-(1-adamantyl)-2-hydroxybenzonitrile

5-(1-adamantyl)-2-hydroxybenzonitrile (PubChem CID 132587298) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 5-(1-adamantyl)-2-hydroxybenzonitrile.

Molecular Properties

Compound Name5-(1-adamantyl)-2-hydroxybenzonitrile
PubChem CID132587298
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name5-(1-adamantyl)-2-hydroxybenzonitrile
SMILESN#Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1O
InChIInChI=1S/C17H19NO/c18-10-14-6-15(1-2-16(14)19)17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,6,11-13,19H,3-5,7-9H2
InChIKeySHARZBFLMYHIND-UHFFFAOYSA-N
XLogP3.73
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-adamantyl)-2-aminophenol
CID 66922251
5-(1-cyanocyclobutyl)-2-hydroxybenzonitrile
CID 84774834
4-[5-(1-adamantyl)-2-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586537
4-(1-adamantyl)-2-pyrrolidin-1-ylphenol
CID 168514325
2-[5-(1-adamantyl)-2-hydroxyphenyl]isoindole-1,3-dione
CID 168518406
2-[5-(1-adamantyl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 168808572
5-[4-[3-(1-adamantyl)phenyl]-6-[4-(1-adamantyl)phenyl]-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile
CID 168808397
2-[5-(1-adamantyl)-2-(methylamino)anilino]ethene-1,1,2-tricarbonitrile
CID 168607732
1-[4-[[4-(1-adamantyl)phenyl]-diazomethyl]phenyl]adamantane
CID 137408787
4-[3-[4-[4-(1-adamantyl)phenyl]-6-[3-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168808424
4-[4-[4,6-bis[3-[4-(1-adamantyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168808054
3-[3-[4,6-bis[4-(1-adamantyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168808089

Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyl)-2-hydroxybenzonitrile?
The IUPAC name of 5-(1-adamantyl)-2-hydroxybenzonitrile (CID 132587298) is 5-(1-adamantyl)-2-hydroxybenzonitrile.
What is the SMILES notation for 5-(1-adamantyl)-2-hydroxybenzonitrile?
The canonical SMILES for 5-(1-adamantyl)-2-hydroxybenzonitrile is N#Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1O.
What is the InChIKey of 5-(1-adamantyl)-2-hydroxybenzonitrile?
The InChIKey is SHARZBFLMYHIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c18-10-14-6-15(1-2-16(14)19)17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,6,11-13,19H,3-5,7-9H2.
What are the key properties of 5-(1-adamantyl)-2-hydroxybenzonitrile?
5-(1-adamantyl)-2-hydroxybenzonitrile has a molecular weight of 253.34 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)-2-hydroxybenzonitrile is sourced from PubChem (CID 132587298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).