2-methoxy-5-nitro-4-phenylphenol

C13H11NO4 — CID 134907742

IUPAC2-methoxy-5-nitro-4-phenylphenol
SMILESCOc1cc(-c2ccccc2)c([N+](=O)[O-])cc1O
InChIInChI=1S/C13H11NO4/c1-18-13-7-10(9-5-3-2-4-6-9)11(14(16)17)8-12(13)15/h2-8,15H,1H3
InChIKeyNKBHTSCHSVPSCX-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.98
Rot. Bonds3

About 2-methoxy-5-nitro-4-phenylphenol

2-methoxy-5-nitro-4-phenylphenol (PubChem CID 134907742) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-methoxy-5-nitro-4-phenylphenol.

Molecular Properties

Compound Name2-methoxy-5-nitro-4-phenylphenol
PubChem CID134907742
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name2-methoxy-5-nitro-4-phenylphenol
SMILESCOc1cc(-c2ccccc2)c([N+](=O)[O-])cc1O
InChIInChI=1S/C13H11NO4/c1-18-13-7-10(9-5-3-2-4-6-9)11(14(16)17)8-12(13)15/h2-8,15H,1H3
InChIKeyNKBHTSCHSVPSCX-UHFFFAOYSA-N
XLogP2.98
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(2-methoxy-5-nitro-4-phenylphenyl)thiophene
CID 175428788
4-methoxy-2-nitro-1-phenylbenzene
CID 11401937
4-methoxy-5-nitrobenzene-1,2-diol
CID 86249066
4-chloro-2-methoxy-5-phenylphenol
CID 132557870
4-methoxy-3-(2-nitrophenyl)benzoic acid
CID 82039203
4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid
CID 19604448
2-fluoro-5-methoxy-1-nitro-3-phenylbenzene
CID 91554743
ethane;2-nitro-4-phenylphenol
CID 142062484
ethyl 4-nitro-2,5-diphenylbenzoate
CID 164670587
2-(4,5-dimethoxy-2-nitrophenyl)sulfanylphenol
CID 83004088
propan-2-yl 4-(5-hydroxy-4-methoxy-2-nitrophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843794
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitro-4-phenylphenol?
The IUPAC name of 2-methoxy-5-nitro-4-phenylphenol (CID 134907742) is 2-methoxy-5-nitro-4-phenylphenol.
What is the SMILES notation for 2-methoxy-5-nitro-4-phenylphenol?
The canonical SMILES for 2-methoxy-5-nitro-4-phenylphenol is COc1cc(-c2ccccc2)c([N+](=O)[O-])cc1O.
What is the InChIKey of 2-methoxy-5-nitro-4-phenylphenol?
The InChIKey is NKBHTSCHSVPSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-18-13-7-10(9-5-3-2-4-6-9)11(14(16)17)8-12(13)15/h2-8,15H,1H3.
What are the key properties of 2-methoxy-5-nitro-4-phenylphenol?
2-methoxy-5-nitro-4-phenylphenol has a molecular weight of 245.23 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-nitro-4-phenylphenol is sourced from PubChem (CID 134907742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).