ethane;2-nitro-4-phenylphenol

C14H15NO3 — CID 142062484

IUPACethane;2-nitro-4-phenylphenol
SMILESCC.O=[N+]([O-])c1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C12H9NO3.C2H6/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9;1-2/h1-8,14H;1-2H3
InChIKeyYSNLFJFBNFGGHV-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.99
Rot. Bonds2

About ethane;2-nitro-4-phenylphenol

ethane;2-nitro-4-phenylphenol (PubChem CID 142062484) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethane;2-nitro-4-phenylphenol.

Molecular Properties

Compound Nameethane;2-nitro-4-phenylphenol
PubChem CID142062484
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethane;2-nitro-4-phenylphenol
SMILESCC.O=[N+]([O-])c1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C12H9NO3.C2H6/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9;1-2/h1-8,14H;1-2H3
InChIKeyYSNLFJFBNFGGHV-UHFFFAOYSA-N
XLogP3.99
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.99
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

Dinoseb
CID 6950
Dinex
CID 8540
4-Methyl-2-nitrophenol
CID 8391
2,6-Dinitro-p-cresol
CID 11872
1-Nitroso-2-naphthol
CID 8580
2-Amino-4-phenylphenol
CID 14562
6-Nitro-m-cresol
CID 12788
2-Isopropyl-4,6-dinitrophenol
CID 67056
Phenol, 4-(1-methylethyl)-2,6-dinitro-
CID 77730
2-Nitro-4-(trifluoromethyl)phenol
CID 9816
7-Nitro-9H-fluoren-2-ol
CID 23119
2-Amino-4-tert-butylphenol
CID 70982

Frequently Asked Questions

What is the IUPAC name of ethane;2-nitro-4-phenylphenol?
The IUPAC name of ethane;2-nitro-4-phenylphenol (CID 142062484) is ethane;2-nitro-4-phenylphenol.
What is the SMILES notation for ethane;2-nitro-4-phenylphenol?
The canonical SMILES for ethane;2-nitro-4-phenylphenol is CC.O=[N+]([O-])c1cc(-c2ccccc2)ccc1O.
What is the InChIKey of ethane;2-nitro-4-phenylphenol?
The InChIKey is YSNLFJFBNFGGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3.C2H6/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9;1-2/h1-8,14H;1-2H3.
What are the key properties of ethane;2-nitro-4-phenylphenol?
ethane;2-nitro-4-phenylphenol has a molecular weight of 245.28 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-nitro-4-phenylphenol is sourced from PubChem (CID 142062484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).