2-(3-hydroxy-5-methylphenyl)acetonitrile

C9H9NO — CID 22616069

IUPAC2-(3-hydroxy-5-methylphenyl)acetonitrile
SMILESCc1cc(O)cc(CC#N)c1
InChIInChI=1S/C9H9NO/c1-7-4-8(2-3-10)6-9(11)5-7/h4-6,11H,2H2,1H3
InChIKeyPPVKCNHLHADTTB-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.77
Rot. Bonds1

About 2-(3-hydroxy-5-methylphenyl)acetonitrile

2-(3-hydroxy-5-methylphenyl)acetonitrile (PubChem CID 22616069) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-(3-hydroxy-5-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-hydroxy-5-methylphenyl)acetonitrile
PubChem CID22616069
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-(3-hydroxy-5-methylphenyl)acetonitrile
SMILESCc1cc(O)cc(CC#N)c1
InChIInChI=1S/C9H9NO/c1-7-4-8(2-3-10)6-9(11)5-7/h4-6,11H,2H2,1H3
InChIKeyPPVKCNHLHADTTB-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-5-methylphenyl)acetonitrile?
The IUPAC name of 2-(3-hydroxy-5-methylphenyl)acetonitrile (CID 22616069) is 2-(3-hydroxy-5-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(3-hydroxy-5-methylphenyl)acetonitrile?
The canonical SMILES for 2-(3-hydroxy-5-methylphenyl)acetonitrile is Cc1cc(O)cc(CC#N)c1.
What is the InChIKey of 2-(3-hydroxy-5-methylphenyl)acetonitrile?
The InChIKey is PPVKCNHLHADTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-7-4-8(2-3-10)6-9(11)5-7/h4-6,11H,2H2,1H3.
What are the key properties of 2-(3-hydroxy-5-methylphenyl)acetonitrile?
2-(3-hydroxy-5-methylphenyl)acetonitrile has a molecular weight of 147.18 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-5-methylphenyl)acetonitrile is sourced from PubChem (CID 22616069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).