1-(3-nitrophenyl)ethenol

C8H7NO3 — CID 12600881

IUPAC1-(3-nitrophenyl)ethenol
SMILESC=C(O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5,10H,1H2
InChIKeyPAMULWAKIDFEAW-UHFFFAOYSA-N
MW165.15 g/mol
LogP2.12
Rot. Bonds2

About 1-(3-nitrophenyl)ethenol

1-(3-nitrophenyl)ethenol (PubChem CID 12600881) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 1-(3-nitrophenyl)ethenol.

Molecular Properties

Compound Name1-(3-nitrophenyl)ethenol
PubChem CID12600881
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name1-(3-nitrophenyl)ethenol
SMILESC=C(O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5,10H,1H2
InChIKeyPAMULWAKIDFEAW-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-nitrophenyl)-1-phenylprop-2-en-1-one
CID 134965880
benzamide;3-nitrobenzoic acid
CID 139144379
3-nitrobenzoyl iodide
CID 87511250
(3-nitrophenyl)-phenylmethanone;thiourea
CID 174541528
(3-nitrobenzoyl) 3-nitrobenzoate
CID 11001597
benzoyl bromide;1,3-dinitrobenzene
CID 174634067
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
N'-amino-3-nitrobenzenecarboximidamide;hydrochloride
CID 87664105
N'-bromo-3-nitrobenzenecarboximidamide
CID 134988255
4-(3-nitrobenzoyl)benzoic acid
CID 803392
prop-1-en-2-yl 3-nitrobenzoate
CID 11413099
2-[1-(3-nitrophenyl)ethenoxy]ethanol
CID 11564725

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)ethenol?
The IUPAC name of 1-(3-nitrophenyl)ethenol (CID 12600881) is 1-(3-nitrophenyl)ethenol.
What is the SMILES notation for 1-(3-nitrophenyl)ethenol?
The canonical SMILES for 1-(3-nitrophenyl)ethenol is C=C(O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-nitrophenyl)ethenol?
The InChIKey is PAMULWAKIDFEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5,10H,1H2.
What are the key properties of 1-(3-nitrophenyl)ethenol?
1-(3-nitrophenyl)ethenol has a molecular weight of 165.15 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)ethenol is sourced from PubChem (CID 12600881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).