4-chloro-2,3-dimethyl-6-nitrophenol

C8H8ClNO3 — CID 23238949

IUPAC4-chloro-2,3-dimethyl-6-nitrophenol
SMILESCc1c(Cl)cc([N+](=O)[O-])c(O)c1C
InChIInChI=1S/C8H8ClNO3/c1-4-5(2)8(11)7(10(12)13)3-6(4)9/h3,11H,1-2H3
InChIKeyCFRHQFGPONDFPG-UHFFFAOYSA-N
MW201.61 g/mol
LogP2.57
Rot. Bonds1

About 4-chloro-2,3-dimethyl-6-nitrophenol

4-chloro-2,3-dimethyl-6-nitrophenol (PubChem CID 23238949) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is 4-chloro-2,3-dimethyl-6-nitrophenol.

Molecular Properties

Compound Name4-chloro-2,3-dimethyl-6-nitrophenol
PubChem CID23238949
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name4-chloro-2,3-dimethyl-6-nitrophenol
SMILESCc1c(Cl)cc([N+](=O)[O-])c(O)c1C
InChIInChI=1S/C8H8ClNO3/c1-4-5(2)8(11)7(10(12)13)3-6(4)9/h3,11H,1-2H3
InChIKeyCFRHQFGPONDFPG-UHFFFAOYSA-N
XLogP2.57
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 52.57
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

2-chloro-3,4-dimethyl-6-nitrophenol
CID 10821959
4-tert-butyl-2-chloro-6-nitrophenol
CID 26749
3-chloro-4-methyl-5-nitrobenzoic acid
CID 22107457
2,4-dichloro-3-methyl-1,5-dinitrobenzene
CID 619578
5-methyl-3-nitrobenzene-1,2-diol
CID 3976897
2,6-dibromo-3-methyl-4-nitrophenol
CID 2769633
3-chloro-5-(3,4-dihydroxy-5-nitrophenyl)sulfonyl-4-methylbenzonitrile
CID 16750339
1-chloro-2-methyl-5-methylsulfanyl-3-nitrobenzene
CID 131010212
2-methyl-4,6-dinitrophenol;2-methyl-1,3,5-trinitrobenzene
CID 87639053
2-methyl-4-nitrobenzene-1,3-diol;hydrochloride
CID 174916227
4-chloro-2,5-dimethylaniline;2,4,6-trinitrophenol
CID 131886524
4-chloro-2,6-dimethylpyridine;2,4,6-trinitrophenol
CID 172885312

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-dimethyl-6-nitrophenol?
The IUPAC name of 4-chloro-2,3-dimethyl-6-nitrophenol (CID 23238949) is 4-chloro-2,3-dimethyl-6-nitrophenol.
What is the SMILES notation for 4-chloro-2,3-dimethyl-6-nitrophenol?
The canonical SMILES for 4-chloro-2,3-dimethyl-6-nitrophenol is Cc1c(Cl)cc([N+](=O)[O-])c(O)c1C.
What is the InChIKey of 4-chloro-2,3-dimethyl-6-nitrophenol?
The InChIKey is CFRHQFGPONDFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-4-5(2)8(11)7(10(12)13)3-6(4)9/h3,11H,1-2H3.
What are the key properties of 4-chloro-2,3-dimethyl-6-nitrophenol?
4-chloro-2,3-dimethyl-6-nitrophenol has a molecular weight of 201.61 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-dimethyl-6-nitrophenol is sourced from PubChem (CID 23238949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).