5-decyl-2-hydroxybenzonitrile

C17H25NO — CID 21246706

IUPAC5-decyl-2-hydroxybenzonitrile
SMILESCCCCCCCCCCc1ccc(O)c(C#N)c1
InChIInChI=1S/C17H25NO/c1-2-3-4-5-6-7-8-9-10-15-11-12-17(19)16(13-15)14-18/h11-13,19H,2-10H2,1H3
InChIKeyZCUPSXRGVMTIED-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.95
Rot. Bonds9

About 5-decyl-2-hydroxybenzonitrile

5-decyl-2-hydroxybenzonitrile (PubChem CID 21246706) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 5-decyl-2-hydroxybenzonitrile.

Molecular Properties

Compound Name5-decyl-2-hydroxybenzonitrile
PubChem CID21246706
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name5-decyl-2-hydroxybenzonitrile
SMILESCCCCCCCCCCc1ccc(O)c(C#N)c1
InChIInChI=1S/C17H25NO/c1-2-3-4-5-6-7-8-9-10-15-11-12-17(19)16(13-15)14-18/h11-13,19H,2-10H2,1H3
InChIKeyZCUPSXRGVMTIED-UHFFFAOYSA-N
XLogP4.95
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyano-4-hexylbenzoic acid
CID 19979097
4-nonyl-2-pentylphenol
CID 86162849
2-methyl-4-octadecylphenol
CID 3022311
5-dodecoxy-2-hydroxybenzonitrile
CID 169297905
2-ethyl-4-heptylphenol
CID 58289223
4-hexyl-2-propan-2-ylphenol
CID 154277952
2-[(2-hydroxy-5-octadecylphenyl)disulfanyl]-4-octadecylphenol
CID 71319393
4,5-diheptylbenzene-1,2-dicarbonitrile
CID 10947312
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
(2-cyano-4-pentylphenyl) 4-(4-hexylphenyl)benzoate
CID 54516684
2-nitro-4-octadecylphenol
CID 19847264
4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135698782

Frequently Asked Questions

What is the IUPAC name of 5-decyl-2-hydroxybenzonitrile?
The IUPAC name of 5-decyl-2-hydroxybenzonitrile (CID 21246706) is 5-decyl-2-hydroxybenzonitrile.
What is the SMILES notation for 5-decyl-2-hydroxybenzonitrile?
The canonical SMILES for 5-decyl-2-hydroxybenzonitrile is CCCCCCCCCCc1ccc(O)c(C#N)c1.
What is the InChIKey of 5-decyl-2-hydroxybenzonitrile?
The InChIKey is ZCUPSXRGVMTIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-3-4-5-6-7-8-9-10-15-11-12-17(19)16(13-15)14-18/h11-13,19H,2-10H2,1H3.
What are the key properties of 5-decyl-2-hydroxybenzonitrile?
5-decyl-2-hydroxybenzonitrile has a molecular weight of 259.39 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decyl-2-hydroxybenzonitrile is sourced from PubChem (CID 21246706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).