4-fluoro-2-[(E)-2-nitrobut-1-enyl]phenol

C10H10FNO3 — CID 169099113

IUPAC4-fluoro-2-[(E)-2-nitrobut-1-enyl]phenol
SMILESCC/C(=C\c1cc(F)ccc1O)[N+](=O)[O-]
InChIInChI=1S/C10H10FNO3/c1-2-9(12(14)15)6-7-5-8(11)3-4-10(7)13/h3-6,13H,2H2,1H3/b9-6+
InChIKeyUUNWLUZNJAGDKO-RMKNXTFCSA-N
MW211.19 g/mol
LogP2.56
Rot. Bonds3

About 4-fluoro-2-[(E)-2-nitrobut-1-enyl]phenol

4-fluoro-2-[(E)-2-nitrobut-1-enyl]phenol (PubChem CID 169099113) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 4-fluoro-2-[(E)-2-nitrobut-1-enyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(E)-2-nitrobut-1-enyl]phenol
PubChem CID169099113
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name4-fluoro-2-[(E)-2-nitrobut-1-enyl]phenol
SMILESCC/C(=C\c1cc(F)ccc1O)[N+](=O)[O-]
InChIInChI=1S/C10H10FNO3/c1-2-9(12(14)15)6-7-5-8(11)3-4-10(7)13/h3-6,13H,2H2,1H3/b9-6+
InChIKeyUUNWLUZNJAGDKO-RMKNXTFCSA-N
XLogP2.56
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 52.56
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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Related Compounds

4-methyl-2-(2-nitrobut-1-enyl)phenol
CID 175481161
4-bromo-2-(2-nitrobut-1-enyl)phenol
CID 175481169
2-fluoro-4-[(Z)-2-nitrobut-1-enyl]phenol
CID 107693509
4-bromo-2-fluoro-1-(2-nitrobut-1-enyl)benzene
CID 76912988
1-nitro-2-(2-nitrobut-1-enyl)benzene
CID 72796209
1,4-difluoro-2-[(E)-2-nitroprop-1-enyl]benzene
CID 24721448
1-chloro-4-nitro-2-[(E)-2-nitrobut-1-enyl]benzene
CID 55016924
4-chloro-2-[3-(4-ethoxyphenyl)-2-nitroprop-1-enyl]phenol
CID 175481164
4-methoxy-1-methyl-2-[(E)-2-nitrobut-1-enyl]benzene
CID 169246544
1-methoxy-2-nitro-3-[(Z)-2-nitrobut-1-enyl]benzene
CID 101110358
2-[(E)-2-nitroprop-1-enyl]benzene-1,4-diol
CID 24988512
N-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde
CID 176923353

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(E)-2-nitrobut-1-enyl]phenol?
The IUPAC name of 4-fluoro-2-[(E)-2-nitrobut-1-enyl]phenol (CID 169099113) is 4-fluoro-2-[(E)-2-nitrobut-1-enyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(E)-2-nitrobut-1-enyl]phenol?
The canonical SMILES for 4-fluoro-2-[(E)-2-nitrobut-1-enyl]phenol is CC/C(=C\c1cc(F)ccc1O)[N+](=O)[O-].
What is the InChIKey of 4-fluoro-2-[(E)-2-nitrobut-1-enyl]phenol?
The InChIKey is UUNWLUZNJAGDKO-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-2-9(12(14)15)6-7-5-8(11)3-4-10(7)13/h3-6,13H,2H2,1H3/b9-6+.
What are the key properties of 4-fluoro-2-[(E)-2-nitrobut-1-enyl]phenol?
4-fluoro-2-[(E)-2-nitrobut-1-enyl]phenol has a molecular weight of 211.19 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(E)-2-nitrobut-1-enyl]phenol is sourced from PubChem (CID 169099113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).