4-methyl-2-nitrophenol;4-methylphenol

C14H15NO4 — CID 21439085

IUPAC4-methyl-2-nitrophenol;4-methylphenol
SMILESCc1ccc(O)c([N+](=O)[O-])c1.Cc1ccc(O)cc1
InChIInChI=1S/C7H7NO3.C7H8O/c1-5-2-3-7(9)6(4-5)8(10)11;1-6-2-4-7(8)5-3-6/h2-4,9H,1H3;2-5,8H,1H3
InChIKeyMWLXIKBLGQUCHP-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.31
Rot. Bonds1

About 4-methyl-2-nitrophenol;4-methylphenol

4-methyl-2-nitrophenol;4-methylphenol (PubChem CID 21439085) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-methyl-2-nitrophenol;4-methylphenol.

Molecular Properties

Compound Name4-methyl-2-nitrophenol;4-methylphenol
PubChem CID21439085
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name4-methyl-2-nitrophenol;4-methylphenol
SMILESCc1ccc(O)c([N+](=O)[O-])c1.Cc1ccc(O)cc1
InChIInChI=1S/C7H7NO3.C7H8O/c1-5-2-3-7(9)6(4-5)8(10)11;1-6-2-4-7(8)5-3-6/h2-4,9H,1H3;2-5,8H,1H3
InChIKeyMWLXIKBLGQUCHP-UHFFFAOYSA-N
XLogP3.31
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.31
H-Bond Donors ≤ 52
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

1-deuteriooxy-4-methyl-2-nitrobenzene
CID 138396001
2-nitrobenzene-1,3-diol;2-nitrobenzene-1,4-diol
CID 162059656
4-methylphenol;4-nitrophenol
CID 68529378
3-(4-methylphenyl)-4-nitrophenol
CID 45098062
1,4-dimethyl-2-nitrobenzene
CID 20849377
6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol
CID 71089393
2,4-dinitrophenol;4-methyl-1-oxidopyridin-1-ium
CID 139124088
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol
CID 15574255
4-methyl-2-nitrophenolate
CID 6989903
benzene-1,4-diol;2-methyl-1,3,5-trinitrobenzene
CID 88762858
copper;tetrakis(2,4-dinitrophenol);methanol
CID 11985774
ethane;2-nitro-4-phenylphenol
CID 142062484

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-nitrophenol;4-methylphenol?
The IUPAC name of 4-methyl-2-nitrophenol;4-methylphenol (CID 21439085) is 4-methyl-2-nitrophenol;4-methylphenol.
What is the SMILES notation for 4-methyl-2-nitrophenol;4-methylphenol?
The canonical SMILES for 4-methyl-2-nitrophenol;4-methylphenol is Cc1ccc(O)c([N+](=O)[O-])c1.Cc1ccc(O)cc1.
What is the InChIKey of 4-methyl-2-nitrophenol;4-methylphenol?
The InChIKey is MWLXIKBLGQUCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.C7H8O/c1-5-2-3-7(9)6(4-5)8(10)11;1-6-2-4-7(8)5-3-6/h2-4,9H,1H3;2-5,8H,1H3.
What are the key properties of 4-methyl-2-nitrophenol;4-methylphenol?
4-methyl-2-nitrophenol;4-methylphenol has a molecular weight of 261.28 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-nitrophenol;4-methylphenol is sourced from PubChem (CID 21439085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).