4-[(E)-2-isocyanoethenyl]phenol

C9H7NO — CID 131232451

IUPAC4-[(E)-2-isocyanoethenyl]phenol
SMILES[C-]#[N+]/C=C/c1ccc(O)cc1
InChIInChI=1S/C9H7NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-7,11H/b7-6+
InChIKeyDPQRSJXKWWAJGK-VOTSOKGWSA-N
MW145.16 g/mol
LogP2.28
Rot. Bonds1

About 4-[(E)-2-isocyanoethenyl]phenol

4-[(E)-2-isocyanoethenyl]phenol (PubChem CID 131232451) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 4-[(E)-2-isocyanoethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-isocyanoethenyl]phenol
PubChem CID131232451
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name4-[(E)-2-isocyanoethenyl]phenol
SMILES[C-]#[N+]/C=C/c1ccc(O)cc1
InChIInChI=1S/C9H7NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-7,11H/b7-6+
InChIKeyDPQRSJXKWWAJGK-VOTSOKGWSA-N
XLogP2.28
TPSA24.59 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-isocyanoethenyl]phenol?
The IUPAC name of 4-[(E)-2-isocyanoethenyl]phenol (CID 131232451) is 4-[(E)-2-isocyanoethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-isocyanoethenyl]phenol?
The canonical SMILES for 4-[(E)-2-isocyanoethenyl]phenol is [C-]#[N+]/C=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-2-isocyanoethenyl]phenol?
The InChIKey is DPQRSJXKWWAJGK-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H7NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-7,11H/b7-6+.
What are the key properties of 4-[(E)-2-isocyanoethenyl]phenol?
4-[(E)-2-isocyanoethenyl]phenol has a molecular weight of 145.16 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-isocyanoethenyl]phenol is sourced from PubChem (CID 131232451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).