5-dodecoxy-2-hydroxybenzonitrile

C19H29NO2 — CID 169297905

IUPAC5-dodecoxy-2-hydroxybenzonitrile
SMILESCCCCCCCCCCCCOc1ccc(O)c(C#N)c1
InChIInChI=1S/C19H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14-22-18-12-13-19(21)17(15-18)16-20/h12-13,15,21H,2-11,14H2,1H3
InChIKeyQFDSVAORVSPKKT-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.56
Rot. Bonds12

About 5-dodecoxy-2-hydroxybenzonitrile

5-dodecoxy-2-hydroxybenzonitrile (PubChem CID 169297905) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-dodecoxy-2-hydroxybenzonitrile.

Molecular Properties

Compound Name5-dodecoxy-2-hydroxybenzonitrile
PubChem CID169297905
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name5-dodecoxy-2-hydroxybenzonitrile
SMILESCCCCCCCCCCCCOc1ccc(O)c(C#N)c1
InChIInChI=1S/C19H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14-22-18-12-13-19(21)17(15-18)16-20/h12-13,15,21H,2-11,14H2,1H3
InChIKeyQFDSVAORVSPKKT-UHFFFAOYSA-N
XLogP5.56
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 23459322
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5-heptoxy-2-nitrobenzonitrile
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4-decoxybenzonitrile
CID 19021371
5-decyl-2-hydroxybenzonitrile
CID 21246706
2-butyl-4-dodecoxyphenol
CID 70607238
2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile
CID 130411265
1,2-bis(5-decoxy-2-hydroxyphenyl)ethane-1,2-dione
CID 11757389
2-tert-butyl-4-tetradecoxyphenol
CID 19014137
5-dodecoxy-2-(2-phenylethenyl)benzonitrile
CID 175548052
4-butoxy-2-octadecylphenol
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Frequently Asked Questions

What is the IUPAC name of 5-dodecoxy-2-hydroxybenzonitrile?
The IUPAC name of 5-dodecoxy-2-hydroxybenzonitrile (CID 169297905) is 5-dodecoxy-2-hydroxybenzonitrile.
What is the SMILES notation for 5-dodecoxy-2-hydroxybenzonitrile?
The canonical SMILES for 5-dodecoxy-2-hydroxybenzonitrile is CCCCCCCCCCCCOc1ccc(O)c(C#N)c1.
What is the InChIKey of 5-dodecoxy-2-hydroxybenzonitrile?
The InChIKey is QFDSVAORVSPKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14-22-18-12-13-19(21)17(15-18)16-20/h12-13,15,21H,2-11,14H2,1H3.
What are the key properties of 5-dodecoxy-2-hydroxybenzonitrile?
5-dodecoxy-2-hydroxybenzonitrile has a molecular weight of 303.45 g/mol, XLogP of 5.56, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecoxy-2-hydroxybenzonitrile is sourced from PubChem (CID 169297905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).