2-hydroxy-2-(2-methylphenyl)acetonitrile

C9H9NO — CID 12717590

IUPAC2-hydroxy-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1C(O)C#N
InChIInChI=1S/C9H9NO/c1-7-4-2-3-5-8(7)9(11)6-10/h2-5,9,11H,1H3
InChIKeyKBPYNXCZRYZCTE-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.55
Rot. Bonds1

About 2-hydroxy-2-(2-methylphenyl)acetonitrile

2-hydroxy-2-(2-methylphenyl)acetonitrile (PubChem CID 12717590) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-hydroxy-2-(2-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-hydroxy-2-(2-methylphenyl)acetonitrile
PubChem CID12717590
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-hydroxy-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1C(O)C#N
InChIInChI=1S/C9H9NO/c1-7-4-2-3-5-8(7)9(11)6-10/h2-5,9,11H,1H3
InChIKeyKBPYNXCZRYZCTE-UHFFFAOYSA-N
XLogP1.55
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
Mandelonitrile
CID 10758
1-Phenylethanol, (R)-
CID 637516
1-Phenylethanol, (S)-
CID 443135
2-Methylbenzyl alcohol
CID 6994
1,2-Benzenedimethanol
CID 69153
(S)-Mandelonitrile
CID 439767
Mandelonitrile, (+)-
CID 9548674
p-Cyanobenzyl alcohol
CID 160549
1-Phenylbut-3-en-1-ol
CID 220119

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-methylphenyl)acetonitrile?
The IUPAC name of 2-hydroxy-2-(2-methylphenyl)acetonitrile (CID 12717590) is 2-hydroxy-2-(2-methylphenyl)acetonitrile.
What is the SMILES notation for 2-hydroxy-2-(2-methylphenyl)acetonitrile?
The canonical SMILES for 2-hydroxy-2-(2-methylphenyl)acetonitrile is Cc1ccccc1C(O)C#N.
What is the InChIKey of 2-hydroxy-2-(2-methylphenyl)acetonitrile?
The InChIKey is KBPYNXCZRYZCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-7-4-2-3-5-8(7)9(11)6-10/h2-5,9,11H,1H3.
What are the key properties of 2-hydroxy-2-(2-methylphenyl)acetonitrile?
2-hydroxy-2-(2-methylphenyl)acetonitrile has a molecular weight of 147.18 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-methylphenyl)acetonitrile is sourced from PubChem (CID 12717590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).