2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile

C12H15NO2 — CID 12895748

IUPAC2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile
SMILESCC(C)(C)Oc1ccc(C(O)C#N)cc1
InChIInChI=1S/C12H15NO2/c1-12(2,3)15-10-6-4-9(5-7-10)11(14)8-13/h4-7,11,14H,1-3H3
InChIKeyYCXSVIDOTWJHFI-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.42
Rot. Bonds2

About 2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile

2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile (PubChem CID 12895748) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile
PubChem CID12895748
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile
SMILESCC(C)(C)Oc1ccc(C(O)C#N)cc1
InChIInChI=1S/C12H15NO2/c1-12(2,3)15-10-6-4-9(5-7-10)11(14)8-13/h4-7,11,14H,1-3H3
InChIKeyYCXSVIDOTWJHFI-UHFFFAOYSA-N
XLogP2.42
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 22486849
[4-[cyano(hydroxy)methyl]phenyl] acetate
CID 57475214
2-hydroxy-2-(4-phenoxyphenyl)acetonitrile
CID 11436051
(1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol
CID 171271183
4-[(2-methylpropan-2-yl)oxy]phenol
CID 2773621
3-(methylamino)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propane-1,2-diol
CID 171858536
2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid
CID 77128830
4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol
CID 146002748
2-[2-(4-hydroxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]-3-methylbutanedinitrile
CID 58325724
bis(4-[(2-methylpropan-2-yl)oxy]phenol);zirconium
CID 158294548
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
CID 145003434
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 77130956

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile?
The IUPAC name of 2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile (CID 12895748) is 2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile.
What is the SMILES notation for 2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile?
The canonical SMILES for 2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile is CC(C)(C)Oc1ccc(C(O)C#N)cc1.
What is the InChIKey of 2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile?
The InChIKey is YCXSVIDOTWJHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2,3)15-10-6-4-9(5-7-10)11(14)8-13/h4-7,11,14H,1-3H3.
What are the key properties of 2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile?
2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile has a molecular weight of 205.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile is sourced from PubChem (CID 12895748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).