2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile

C11H11NO2 — CID 130411265

IUPAC2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile
SMILESC=C(C)COc1ccc(O)c(C#N)c1
InChIInChI=1S/C11H11NO2/c1-8(2)7-14-10-3-4-11(13)9(5-10)6-12/h3-5,13H,1,7H2,2H3
InChIKeyUADBIMMBKXFVHN-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.22
Rot. Bonds3

About 2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile

2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile (PubChem CID 130411265) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile.

Molecular Properties

Compound Name2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile
PubChem CID130411265
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile
SMILESC=C(C)COc1ccc(O)c(C#N)c1
InChIInChI=1S/C11H11NO2/c1-8(2)7-14-10-3-4-11(13)9(5-10)6-12/h3-5,13H,1,7H2,2H3
InChIKeyUADBIMMBKXFVHN-UHFFFAOYSA-N
XLogP2.22
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-dodecoxy-2-hydroxybenzonitrile
CID 169297905
1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone
CID 14523499
2-hydroxy-5-(trifluoromethoxy)benzonitrile
CID 24721643
(3-cyano-4-hydroxyphenyl) formate
CID 174924590
5-(2-methylprop-2-enoxy)-1H-indole
CID 80641089
3-fluoro-5-(2-methylprop-2-enoxy)benzonitrile
CID 130568488
2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 168520883
2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene
CID 78977095
2-bromo-1-[2-bromo-4-(2-methylprop-2-enoxy)phenyl]sulfanyl-4-(2-methylprop-2-enoxy)benzene
CID 70525008
N-(2-hydroxy-5-methylphenyl)-4-(2-methylprop-2-enoxy)benzamide
CID 17123767
5-hydroxy-2-(2-methylprop-2-enyl)benzonitrile
CID 67896765
2-methyl-4-(2-methylprop-2-enoxy)pyridine
CID 127009570

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile?
The IUPAC name of 2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile (CID 130411265) is 2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile.
What is the SMILES notation for 2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile?
The canonical SMILES for 2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile is C=C(C)COc1ccc(O)c(C#N)c1.
What is the InChIKey of 2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile?
The InChIKey is UADBIMMBKXFVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8(2)7-14-10-3-4-11(13)9(5-10)6-12/h3-5,13H,1,7H2,2H3.
What are the key properties of 2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile?
2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile has a molecular weight of 189.21 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile is sourced from PubChem (CID 130411265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).