4-[(Z)-2-nitroethenyl]phenol

C8H7NO3 — CID 15311368

IUPAC4-[(Z)-2-nitroethenyl]phenol
SMILESO=[N+]([O-])/C=C\c1ccc(O)cc1
InChIInChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5-
InChIKeyCTJKRKMPTRJAIT-WAYWQWQTSA-N
MW165.15 g/mol
LogP1.64
Rot. Bonds2

About 4-[(Z)-2-nitroethenyl]phenol

4-[(Z)-2-nitroethenyl]phenol (PubChem CID 15311368) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 4-[(Z)-2-nitroethenyl]phenol.

Molecular Properties

Compound Name4-[(Z)-2-nitroethenyl]phenol
PubChem CID15311368
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name4-[(Z)-2-nitroethenyl]phenol
SMILESO=[N+]([O-])/C=C\c1ccc(O)cc1
InChIInChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5-
InChIKeyCTJKRKMPTRJAIT-WAYWQWQTSA-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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Related Compounds

1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773
4-[(E)-2-nitroethenyl]benzoic acid
CID 7016907
[(E)-2-nitroethenyl]benzene
CID 5284459
2-nitroethenylbenzene
CID 7626
1-(2-nitroethenyl)-4-[4-(2-nitroethenyl)phenyl]sulfonylbenzene
CID 87998421
1-[(E)-2-nitroethenyl]-4-[4-[(E)-2-nitroethenyl]phenyl]sulfonylbenzene
CID 173225544
1-ethyl-4-[(E)-2-nitroethenyl]benzene
CID 50853072
1-(methoxymethyl)-4-(2-nitroethenyl)benzene
CID 77098902
5-[2-(4-hydroxyphenyl)ethenyl]-2,4,6-trinitrobenzene-1,3-diol
CID 172676316
methoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium
CID 123531168
1-(2-nitroethenyl)-4-phenoxybenzene
CID 54104165
1-(2-nitroethenyl)-4-[2-[2-[2-[4-(2-nitroethenyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 123651558

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-nitroethenyl]phenol?
The IUPAC name of 4-[(Z)-2-nitroethenyl]phenol (CID 15311368) is 4-[(Z)-2-nitroethenyl]phenol.
What is the SMILES notation for 4-[(Z)-2-nitroethenyl]phenol?
The canonical SMILES for 4-[(Z)-2-nitroethenyl]phenol is O=[N+]([O-])/C=C\c1ccc(O)cc1.
What is the InChIKey of 4-[(Z)-2-nitroethenyl]phenol?
The InChIKey is CTJKRKMPTRJAIT-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5-.
What are the key properties of 4-[(Z)-2-nitroethenyl]phenol?
4-[(Z)-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 4-[(Z)-2-nitroethenyl]phenol is sourced from PubChem (CID 15311368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).