2-nitro-4-phenylphenol

C12H9NO3 — CID 13447

IUPAC2-nitro-4-phenylphenol
SMILESO=[N+]([O-])c1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C12H9NO3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,14H
InChIKeyJDDNJJBXFOLPKX-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.97
Rot. Bonds2

About 2-nitro-4-phenylphenol

2-nitro-4-phenylphenol (PubChem CID 13447) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-nitro-4-phenylphenol.

Molecular Properties

Compound Name2-nitro-4-phenylphenol
PubChem CID13447
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name2-nitro-4-phenylphenol
SMILESO=[N+]([O-])c1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C12H9NO3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,14H
InChIKeyJDDNJJBXFOLPKX-UHFFFAOYSA-N
XLogP2.97
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.97
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

ethane;2-nitro-4-phenylphenol
CID 142062484
[4-(4-hydroxy-3-nitrophenyl)phenyl] benzoate
CID 22922925
4-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221610
3-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221609
4-(4-amino-3-nitrophenyl)-2-nitrophenol
CID 91740397
1-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone
CID 53221641
4-(3,4-difluorophenyl)-2-nitrophenol
CID 53221636
1-methyl-2-nitro-4-phenylbenzene
CID 12909826
6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol
CID 71089393
4-(furan-2-yl)-2-nitrophenol
CID 53221595
2-nitro-4-[4-(trifluoromethoxy)phenyl]phenol
CID 53221716
azane;2,4-dinitrophenol;hydrate
CID 174664401

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-phenylphenol?
The IUPAC name of 2-nitro-4-phenylphenol (CID 13447) is 2-nitro-4-phenylphenol.
What is the SMILES notation for 2-nitro-4-phenylphenol?
The canonical SMILES for 2-nitro-4-phenylphenol is O=[N+]([O-])c1cc(-c2ccccc2)ccc1O.
What is the InChIKey of 2-nitro-4-phenylphenol?
The InChIKey is JDDNJJBXFOLPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,14H.
What are the key properties of 2-nitro-4-phenylphenol?
2-nitro-4-phenylphenol has a molecular weight of 215.21 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-phenylphenol is sourced from PubChem (CID 13447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).