2-nitro-4-[(E)-prop-1-enyl]phenol

C9H9NO3 — CID 163947820

IUPAC2-nitro-4-[(E)-prop-1-enyl]phenol
SMILESC/C=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H9NO3/c1-2-3-7-4-5-9(11)8(6-7)10(12)13/h2-6,11H,1H3/b3-2+
InChIKeyRWRQTKWJLCVXQH-NSCUHMNNSA-N
MW179.17 g/mol
LogP2.33
Rot. Bonds2

About 2-nitro-4-[(E)-prop-1-enyl]phenol

2-nitro-4-[(E)-prop-1-enyl]phenol (PubChem CID 163947820) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-nitro-4-[(E)-prop-1-enyl]phenol.

Molecular Properties

Compound Name2-nitro-4-[(E)-prop-1-enyl]phenol
PubChem CID163947820
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name2-nitro-4-[(E)-prop-1-enyl]phenol
SMILESC/C=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H9NO3/c1-2-3-7-4-5-9(11)8(6-7)10(12)13/h2-6,11H,1H3/b3-2+
InChIKeyRWRQTKWJLCVXQH-NSCUHMNNSA-N
XLogP2.33
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 52.33
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-hydroxy-3-nitrobenzaldehyde
CID 18169
4-hydroxy-3-nitrobenzaldehyde;iodomethane
CID 174399047
4-(4-chlorobut-1-enyl)-2-nitrophenol
CID 170499602
(1E,6E)-1-(4-hydroxy-3-nitrophenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68554736
3-(4-hydroxy-3-nitrophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 78574200
4-[2-(1-methylpiperidin-4-yl)ethenyl]-2-nitrophenol
CID 76609179
2-methoxy-1-nitro-4-prop-1-enylbenzene
CID 175860863
1-(4-bromophenyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-en-1-one
CID 4815851
4-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221610
acetic acid;bis(2,4-dinitrophenol)
CID 88801874
(E)-3-(4-hydroxy-3-nitrophenyl)-1-(2-methoxy-5-methylphenyl)prop-2-en-1-one
CID 9040214
(E)-3-(4-hydroxy-3-nitrophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 6214615

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-[(E)-prop-1-enyl]phenol?
The IUPAC name of 2-nitro-4-[(E)-prop-1-enyl]phenol (CID 163947820) is 2-nitro-4-[(E)-prop-1-enyl]phenol.
What is the SMILES notation for 2-nitro-4-[(E)-prop-1-enyl]phenol?
The canonical SMILES for 2-nitro-4-[(E)-prop-1-enyl]phenol is C/C=C/c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-nitro-4-[(E)-prop-1-enyl]phenol?
The InChIKey is RWRQTKWJLCVXQH-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H9NO3/c1-2-3-7-4-5-9(11)8(6-7)10(12)13/h2-6,11H,1H3/b3-2+.
What are the key properties of 2-nitro-4-[(E)-prop-1-enyl]phenol?
2-nitro-4-[(E)-prop-1-enyl]phenol has a molecular weight of 179.17 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-[(E)-prop-1-enyl]phenol is sourced from PubChem (CID 163947820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).