3-methyl-4-(4-nitrophenyl)phenol

C13H11NO3 — CID 118072447

IUPAC3-methyl-4-(4-nitrophenyl)phenol
SMILESCc1cc(O)ccc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11NO3/c1-9-8-12(15)6-7-13(9)10-2-4-11(5-3-10)14(16)17/h2-8,15H,1H3
InChIKeyAECNGWISUVDKOV-UHFFFAOYSA-N
MW229.23 g/mol
LogP3.28
Rot. Bonds2

About 3-methyl-4-(4-nitrophenyl)phenol

3-methyl-4-(4-nitrophenyl)phenol (PubChem CID 118072447) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-methyl-4-(4-nitrophenyl)phenol.

Molecular Properties

Compound Name3-methyl-4-(4-nitrophenyl)phenol
PubChem CID118072447
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name3-methyl-4-(4-nitrophenyl)phenol
SMILESCc1cc(O)ccc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11NO3/c1-9-8-12(15)6-7-13(9)10-2-4-11(5-3-10)14(16)17/h2-8,15H,1H3
InChIKeyAECNGWISUVDKOV-UHFFFAOYSA-N
XLogP3.28
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 53.28
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

1-(4-chlorophenyl)-2-methyl-4-nitrobenzene
CID 57438279
4-methylphenol;4-nitrophenol
CID 68529378
4-nitrophenol
CID 88714583
4-[2-bromo-3-(4-methylphenyl)-4-(4-nitrophenyl)phenyl]phenol
CID 90723883
ethane;2,2,3-trimethyl-4-(4-nitrophenyl)chromen-7-ol
CID 170611073
sodium;4-(2,4-dinitrophenyl)phenol;hydride
CID 174918783
4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
2-(4-hydroxyphenyl)-5-nitrobenzonitrile
CID 23508482
3-(4-nitrophenyl)phenol
CID 15743438
4-nitrophenol;phosphane
CID 157153413
3-(4-methylphenyl)-4-nitrophenol
CID 45098062
4-(4-ethylphenyl)-3-methylphenol
CID 83130010

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-nitrophenyl)phenol?
The IUPAC name of 3-methyl-4-(4-nitrophenyl)phenol (CID 118072447) is 3-methyl-4-(4-nitrophenyl)phenol.
What is the SMILES notation for 3-methyl-4-(4-nitrophenyl)phenol?
The canonical SMILES for 3-methyl-4-(4-nitrophenyl)phenol is Cc1cc(O)ccc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-methyl-4-(4-nitrophenyl)phenol?
The InChIKey is AECNGWISUVDKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-9-8-12(15)6-7-13(9)10-2-4-11(5-3-10)14(16)17/h2-8,15H,1H3.
What are the key properties of 3-methyl-4-(4-nitrophenyl)phenol?
3-methyl-4-(4-nitrophenyl)phenol has a molecular weight of 229.23 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-nitrophenyl)phenol is sourced from PubChem (CID 118072447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).