2-nitro-6-(2-phenylethenyl)phenol

C14H11NO3 — CID 57159436

IUPAC2-nitro-6-(2-phenylethenyl)phenol
SMILESO=[N+]([O-])c1cccc(C=Cc2ccccc2)c1O
InChIInChI=1S/C14H11NO3/c16-14-12(7-4-8-13(14)15(17)18)10-9-11-5-2-1-3-6-11/h1-10,16H
InChIKeyUZXYRUOSHRFKND-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.47
Rot. Bonds3

About 2-nitro-6-(2-phenylethenyl)phenol

2-nitro-6-(2-phenylethenyl)phenol (PubChem CID 57159436) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-nitro-6-(2-phenylethenyl)phenol.

Molecular Properties

Compound Name2-nitro-6-(2-phenylethenyl)phenol
PubChem CID57159436
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name2-nitro-6-(2-phenylethenyl)phenol
SMILESO=[N+]([O-])c1cccc(C=Cc2ccccc2)c1O
InChIInChI=1S/C14H11NO3/c16-14-12(7-4-8-13(14)15(17)18)10-9-11-5-2-1-3-6-11/h1-10,16H
InChIKeyUZXYRUOSHRFKND-UHFFFAOYSA-N
XLogP3.47
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.47
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-nitro-2,3-bis(2-phenylethenyl)benzene
CID 155903015
3-(2-hydroxy-3-nitrophenyl)prop-2-enoic acid
CID 53401649
3-(2-hydroxy-3-nitrophenyl)-1-phenylprop-2-en-1-one
CID 71324009
4-(2-hydroxy-3-nitrophenyl)but-3-enoic acid
CID 170484016
1,2-dinitrobenzene;3-(2-phenylethenyl)benzene-1,2-disulfonic acid
CID 174306447
2-[3-(methylamino)prop-1-enyl]-6-nitrophenol
CID 169474040
2-(methyliminomethyl)-6-nitrophenol
CID 4779353
2-[2,3-diamino-4-(2-hydroxy-3-nitrophenyl)buta-1,3-dienyl]-6-nitrophenol
CID 173446234
2-nitro-3-(2-phenylethenyl)aniline
CID 67709956
4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile
CID 155931404
1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene
CID 73187719
6-[2-(2-hydroxy-3-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
CID 3441193

Frequently Asked Questions

What is the IUPAC name of 2-nitro-6-(2-phenylethenyl)phenol?
The IUPAC name of 2-nitro-6-(2-phenylethenyl)phenol (CID 57159436) is 2-nitro-6-(2-phenylethenyl)phenol.
What is the SMILES notation for 2-nitro-6-(2-phenylethenyl)phenol?
The canonical SMILES for 2-nitro-6-(2-phenylethenyl)phenol is O=[N+]([O-])c1cccc(C=Cc2ccccc2)c1O.
What is the InChIKey of 2-nitro-6-(2-phenylethenyl)phenol?
The InChIKey is UZXYRUOSHRFKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-14-12(7-4-8-13(14)15(17)18)10-9-11-5-2-1-3-6-11/h1-10,16H.
What are the key properties of 2-nitro-6-(2-phenylethenyl)phenol?
2-nitro-6-(2-phenylethenyl)phenol has a molecular weight of 241.25 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-6-(2-phenylethenyl)phenol is sourced from PubChem (CID 57159436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).