2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile

C11H13NO2 — CID 117282299

IUPAC2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile
SMILESCOc1cc(CC#N)c(C)c(C)c1O
InChIInChI=1S/C11H13NO2/c1-7-8(2)11(13)10(14-3)6-9(7)4-5-12/h6,13H,4H2,1-3H3
InChIKeyJHXQAXGYSRMVHD-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.08
Rot. Bonds2

About 2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile

2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile (PubChem CID 117282299) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile
PubChem CID117282299
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile
SMILESCOc1cc(CC#N)c(C)c(C)c1O
InChIInChI=1S/C11H13NO2/c1-7-8(2)11(13)10(14-3)6-9(7)4-5-12/h6,13H,4H2,1-3H3
InChIKeyJHXQAXGYSRMVHD-UHFFFAOYSA-N
XLogP2.08
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluoro-3-hydroxy-5-methoxyphenyl)acetonitrile
CID 117288174
6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol
CID 117299082
2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile
CID 117284972
2-(2-chloro-5-methoxy-4-methylphenyl)acetonitrile
CID 84773814
2-(4-fluoro-5-hydroxy-2-methoxyphenyl)acetonitrile
CID 117278527
2-(3-fluoro-2,4,5-trimethoxyphenyl)acetonitrile
CID 117322895
4-amino-6-methoxy-2,3-dimethylphenol
CID 58463229
2-(5-fluoro-3,4-dimethoxy-2-methylphenyl)acetonitrile
CID 117298346
2-(4-tert-butyl-2,5-dimethoxyphenyl)acetonitrile
CID 117338385
2-(2-acetyl-5-hydroxy-4-methoxyphenyl)acetonitrile
CID 11095744
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
4-methoxy-2,3-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 117299085

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile?
The IUPAC name of 2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile (CID 117282299) is 2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile.
What is the SMILES notation for 2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile?
The canonical SMILES for 2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile is COc1cc(CC#N)c(C)c(C)c1O.
What is the InChIKey of 2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile?
The InChIKey is JHXQAXGYSRMVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-8(2)11(13)10(14-3)6-9(7)4-5-12/h6,13H,4H2,1-3H3.
What are the key properties of 2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile?
2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile has a molecular weight of 191.23 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile is sourced from PubChem (CID 117282299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).