4-methyl-3-nitrophenol

C7H7NO3 — CID 16271

IUPAC4-methyl-3-nitrophenol
SMILESCc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C7H7NO3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H3
InChIKeyBQEXDUKMTVYBRK-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.61
Rot. Bonds1

About 4-methyl-3-nitrophenol

4-methyl-3-nitrophenol (PubChem CID 16271) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 4-methyl-3-nitrophenol.

Molecular Properties

Compound Name4-methyl-3-nitrophenol
PubChem CID16271
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name4-methyl-3-nitrophenol
SMILESCc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C7H7NO3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H3
InChIKeyBQEXDUKMTVYBRK-UHFFFAOYSA-N
XLogP1.61
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.61
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-dimethyl-2-nitrobenzene
CID 20849377
4-hydroxy-2-nitrophenolate
CID 36690956
4-chloro-3-methyl-5-nitrophenol
CID 118799935
bis(4-methyl-3-nitrophenyl)methanone
CID 2259929
4-(difluoromethyl)-1-methyl-2-nitrobenzene
CID 90322221
4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenol
CID 3092239
4-(methylamino)-3-nitrophenol
CID 22832045
(4-methyl-3-nitrophenyl)boronic acid
CID 2773515
4-(1-hydroxyethyl)-3-nitrophenol
CID 143117945
3-nitro-4-prop-1-en-2-ylphenol
CID 155581296
1-[(4-methyl-3-nitrophenyl)methyl]indol-5-ol
CID 139959961
3-methyl-6-nitrobenzene-1,2-diol
CID 45121162

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitrophenol?
The IUPAC name of 4-methyl-3-nitrophenol (CID 16271) is 4-methyl-3-nitrophenol.
What is the SMILES notation for 4-methyl-3-nitrophenol?
The canonical SMILES for 4-methyl-3-nitrophenol is Cc1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitrophenol?
The InChIKey is BQEXDUKMTVYBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H3.
What are the key properties of 4-methyl-3-nitrophenol?
4-methyl-3-nitrophenol has a molecular weight of 153.14 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitrophenol is sourced from PubChem (CID 16271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).