4-hydroxy-6-methylnaphthalene-2-carbonitrile

C12H9NO — CID 67309332

IUPAC4-hydroxy-6-methylnaphthalene-2-carbonitrile
SMILESCc1ccc2cc(C#N)cc(O)c2c1
InChIInChI=1S/C12H9NO/c1-8-2-3-10-5-9(7-13)6-12(14)11(10)4-8/h2-6,14H,1H3
InChIKeyGUKYINYENBHFIR-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.73
Rot. Bonds

About 4-hydroxy-6-methylnaphthalene-2-carbonitrile

4-hydroxy-6-methylnaphthalene-2-carbonitrile (PubChem CID 67309332) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-hydroxy-6-methylnaphthalene-2-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-6-methylnaphthalene-2-carbonitrile
PubChem CID67309332
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name4-hydroxy-6-methylnaphthalene-2-carbonitrile
SMILESCc1ccc2cc(C#N)cc(O)c2c1
InChIInChI=1S/C12H9NO/c1-8-2-3-10-5-9(7-13)6-12(14)11(10)4-8/h2-6,14H,1H3
InChIKeyGUKYINYENBHFIR-UHFFFAOYSA-N
XLogP2.73
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methylnaphthalene-2-carbonitrile?
The IUPAC name of 4-hydroxy-6-methylnaphthalene-2-carbonitrile (CID 67309332) is 4-hydroxy-6-methylnaphthalene-2-carbonitrile.
What is the SMILES notation for 4-hydroxy-6-methylnaphthalene-2-carbonitrile?
The canonical SMILES for 4-hydroxy-6-methylnaphthalene-2-carbonitrile is Cc1ccc2cc(C#N)cc(O)c2c1.
What is the InChIKey of 4-hydroxy-6-methylnaphthalene-2-carbonitrile?
The InChIKey is GUKYINYENBHFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c1-8-2-3-10-5-9(7-13)6-12(14)11(10)4-8/h2-6,14H,1H3.
What are the key properties of 4-hydroxy-6-methylnaphthalene-2-carbonitrile?
4-hydroxy-6-methylnaphthalene-2-carbonitrile has a molecular weight of 183.21 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methylnaphthalene-2-carbonitrile is sourced from PubChem (CID 67309332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).