4-bromo-2-(2-nitrobut-1-enyl)phenol

C10H10BrNO3 — CID 175481169

IUPAC4-bromo-2-(2-nitrobut-1-enyl)phenol
SMILESCCC(=Cc1cc(Br)ccc1O)[N+](=O)[O-]
InChIInChI=1S/C10H10BrNO3/c1-2-9(12(14)15)6-7-5-8(11)3-4-10(7)13/h3-6,13H,2H2,1H3
InChIKeyOJBWSNCPCFRQQC-UHFFFAOYSA-N
MW272.10 g/mol
LogP3.18
Rot. Bonds3

About 4-bromo-2-(2-nitrobut-1-enyl)phenol

4-bromo-2-(2-nitrobut-1-enyl)phenol (PubChem CID 175481169) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is 4-bromo-2-(2-nitrobut-1-enyl)phenol.

Molecular Properties

Compound Name4-bromo-2-(2-nitrobut-1-enyl)phenol
PubChem CID175481169
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name4-bromo-2-(2-nitrobut-1-enyl)phenol
SMILESCCC(=Cc1cc(Br)ccc1O)[N+](=O)[O-]
InChIInChI=1S/C10H10BrNO3/c1-2-9(12(14)15)6-7-5-8(11)3-4-10(7)13/h3-6,13H,2H2,1H3
InChIKeyOJBWSNCPCFRQQC-UHFFFAOYSA-N
XLogP3.18
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 53.18
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-fluoro-2-[(E)-2-nitrobut-1-enyl]phenol
CID 169099113
4-bromo-2-fluoro-1-(2-nitrobut-1-enyl)benzene
CID 76912988
4-bromo-2-[(Z)-2-nitroprop-1-enyl]phenol
CID 96838868
2-fluoro-4-[(Z)-2-nitrobut-1-enyl]phenol
CID 107693509
1-nitro-2-(2-nitrobut-1-enyl)benzene
CID 72796209
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
2-[(E)-2-nitroprop-1-enyl]benzene-1,4-diol
CID 24988512
4-bromo-2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]phenol
CID 23471173
(2Z)-2-[(4-bromo-2-nitrophenyl)methylidene]butanal
CID 114385835

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-nitrobut-1-enyl)phenol?
The IUPAC name of 4-bromo-2-(2-nitrobut-1-enyl)phenol (CID 175481169) is 4-bromo-2-(2-nitrobut-1-enyl)phenol.
What is the SMILES notation for 4-bromo-2-(2-nitrobut-1-enyl)phenol?
The canonical SMILES for 4-bromo-2-(2-nitrobut-1-enyl)phenol is CCC(=Cc1cc(Br)ccc1O)[N+](=O)[O-].
What is the InChIKey of 4-bromo-2-(2-nitrobut-1-enyl)phenol?
The InChIKey is OJBWSNCPCFRQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c1-2-9(12(14)15)6-7-5-8(11)3-4-10(7)13/h3-6,13H,2H2,1H3.
What are the key properties of 4-bromo-2-(2-nitrobut-1-enyl)phenol?
4-bromo-2-(2-nitrobut-1-enyl)phenol has a molecular weight of 272.10 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-nitrobut-1-enyl)phenol is sourced from PubChem (CID 175481169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).