3-[(E)-2-nitroethenyl]phenol

C8H7NO3 — CID 6115582

IUPAC3-[(E)-2-nitroethenyl]phenol
SMILESO=[N+]([O-])/C=C/c1cccc(O)c1
InChIInChI=1S/C8H7NO3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H/b5-4+
InChIKeyDHTXBJQMDPODIB-SNAWJCMRSA-N
MW165.15 g/mol
LogP1.64
Rot. Bonds2

About 3-[(E)-2-nitroethenyl]phenol

3-[(E)-2-nitroethenyl]phenol (PubChem CID 6115582) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 3-[(E)-2-nitroethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-nitroethenyl]phenol
PubChem CID6115582
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name3-[(E)-2-nitroethenyl]phenol
SMILESO=[N+]([O-])/C=C/c1cccc(O)c1
InChIInChI=1S/C8H7NO3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H/b5-4+
InChIKeyDHTXBJQMDPODIB-SNAWJCMRSA-N
XLogP1.64
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-nitroethenyl]phenol?
The IUPAC name of 3-[(E)-2-nitroethenyl]phenol (CID 6115582) is 3-[(E)-2-nitroethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-nitroethenyl]phenol?
The canonical SMILES for 3-[(E)-2-nitroethenyl]phenol is O=[N+]([O-])/C=C/c1cccc(O)c1.
What is the InChIKey of 3-[(E)-2-nitroethenyl]phenol?
The InChIKey is DHTXBJQMDPODIB-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H7NO3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H/b5-4+.
What are the key properties of 3-[(E)-2-nitroethenyl]phenol?
3-[(E)-2-nitroethenyl]phenol has a molecular weight of 165.15 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-nitroethenyl]phenol is sourced from PubChem (CID 6115582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).