4-cyanophenolate

C7H4NO- — CID 23270156

IUPAC4-cyanophenolate
SMILESN#Cc1ccc([O-])cc1
InChIInChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H/p-1
InChIKeyCVNOWLNNPYYEOH-UHFFFAOYSA-M
MW118.11 g/mol
LogP0.63
Rot. Bonds

About 4-cyanophenolate

4-cyanophenolate (PubChem CID 23270156) has the molecular formula C7H4NO- and a molecular weight of 118.11 g/mol. Its IUPAC name is 4-cyanophenolate.

Molecular Properties

Compound Name4-cyanophenolate
PubChem CID23270156
Molecular FormulaC7H4NO-
Molecular Weight118.11 g/mol
Exact Mass118.03
IUPAC Name4-cyanophenolate
SMILESN#Cc1ccc([O-])cc1
InChIInChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H/p-1
InChIKeyCVNOWLNNPYYEOH-UHFFFAOYSA-M
XLogP0.63
TPSA46.85 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyanophenolate?
The IUPAC name of 4-cyanophenolate (CID 23270156) is 4-cyanophenolate.
What is the SMILES notation for 4-cyanophenolate?
The canonical SMILES for 4-cyanophenolate is N#Cc1ccc([O-])cc1.
What is the InChIKey of 4-cyanophenolate?
The InChIKey is CVNOWLNNPYYEOH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H/p-1.
What are the key properties of 4-cyanophenolate?
4-cyanophenolate has a molecular weight of 118.11 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyanophenolate is sourced from PubChem (CID 23270156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).