3-(2-hydroxyethyl)-5-methylbenzonitrile

C10H11NO — CID 70065203

IUPAC3-(2-hydroxyethyl)-5-methylbenzonitrile
SMILESCc1cc(C#N)cc(CCO)c1
InChIInChI=1S/C10H11NO/c1-8-4-9(2-3-12)6-10(5-8)7-11/h4-6,12H,2-3H2,1H3
InChIKeyVFMYSHLRMVXFKO-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.40
Rot. Bonds2

About 3-(2-hydroxyethyl)-5-methylbenzonitrile

3-(2-hydroxyethyl)-5-methylbenzonitrile (PubChem CID 70065203) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-5-methylbenzonitrile.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-5-methylbenzonitrile
PubChem CID70065203
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-(2-hydroxyethyl)-5-methylbenzonitrile
SMILESCc1cc(C#N)cc(CCO)c1
InChIInChI=1S/C10H11NO/c1-8-4-9(2-3-12)6-10(5-8)7-11/h4-6,12H,2-3H2,1H3
InChIKeyVFMYSHLRMVXFKO-UHFFFAOYSA-N
XLogP1.40
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-hydroxyethyl)benzonitrile
CID 14926727
ethene;3-methyl-5-prop-2-enylbenzonitrile
CID 142401285
3-methyl-5-(propan-2-yloxymethyl)benzonitrile
CID 159553333
4-(2-hydroxyethyl)benzonitrile
CID 2800815
3-(2-hydroxyethyl)-4,5-dimethylbenzonitrile
CID 117277253
3-isocyano-5-methylbenzonitrile
CID 58369567
3-methyl-5-[[3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzonitrile
CID 166874622
3-(3,5-dimethylphenyl)propanenitrile;ethane
CID 143620774
4-(4-hydroxybut-1-enyl)-3,5-dimethylbenzonitrile
CID 170476940
3-(1-aminoethenyl)-5-methylbenzonitrile
CID 59686855
3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile
CID 107708789
3-(hydroxymethyl)-5-iodobenzonitrile
CID 118268864

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-5-methylbenzonitrile?
The IUPAC name of 3-(2-hydroxyethyl)-5-methylbenzonitrile (CID 70065203) is 3-(2-hydroxyethyl)-5-methylbenzonitrile.
What is the SMILES notation for 3-(2-hydroxyethyl)-5-methylbenzonitrile?
The canonical SMILES for 3-(2-hydroxyethyl)-5-methylbenzonitrile is Cc1cc(C#N)cc(CCO)c1.
What is the InChIKey of 3-(2-hydroxyethyl)-5-methylbenzonitrile?
The InChIKey is VFMYSHLRMVXFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-8-4-9(2-3-12)6-10(5-8)7-11/h4-6,12H,2-3H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-5-methylbenzonitrile?
3-(2-hydroxyethyl)-5-methylbenzonitrile has a molecular weight of 161.20 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-5-methylbenzonitrile is sourced from PubChem (CID 70065203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).