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

C8H8ClNO3 — CID 10821959

IUPAC2-chloro-3,4-dimethyl-6-nitrophenol
SMILESCc1cc([N+](=O)[O-])c(O)c(Cl)c1C
InChIInChI=1S/C8H8ClNO3/c1-4-3-6(10(12)13)8(11)7(9)5(4)2/h3,11H,1-2H3
InChIKeyHZMAMKMOZXKFLG-UHFFFAOYSA-N
MW201.61 g/mol
LogP2.57
Rot. Bonds1

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

2-chloro-3,4-dimethyl-6-nitrophenol (PubChem CID 10821959) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is 2-chloro-3,4-dimethyl-6-nitrophenol.

Molecular Properties

Compound Name2-chloro-3,4-dimethyl-6-nitrophenol
PubChem CID10821959
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name2-chloro-3,4-dimethyl-6-nitrophenol
SMILESCc1cc([N+](=O)[O-])c(O)c(Cl)c1C
InChIInChI=1S/C8H8ClNO3/c1-4-3-6(10(12)13)8(11)7(9)5(4)2/h3,11H,1-2H3
InChIKeyHZMAMKMOZXKFLG-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

4-chloro-1,2,3-trimethyl-5-nitrobenzene
CID 162041077
4-chloro-2,3-dimethyl-6-nitrophenol
CID 23238949
4-chloro-3-methyl-5-nitrophenol
CID 118799935
2,4-dichloro-3-methyl-1,5-dinitrobenzene
CID 619578
1,3-dichloro-4,5-dimethyl-2-nitrobenzene
CID 20726985
5-bromo-3-chloro-2-methoxy-4-methylaniline;4-bromo-2-chloro-3-methyl-6-nitrophenol
CID 167655340
2,6-dihydroxy-3-methyl-5-nitrobenzoic acid
CID 139932552
2-methyl-4,6-dinitrophenol;2-methyl-1,3,5-trinitrobenzene
CID 87639053
4-(4-hydroxy-3-methyl-5-nitrophenoxy)-2-methyl-6-nitrophenol
CID 57107290
2,3-dichloro-4-methyl-6-nitrobenzoic acid
CID 87869855
5-methyl-3-nitrobenzene-1,2-diol
CID 3976897
2,6-dihydroxy-3-methyl-5-nitrobenzenesulfonate;manganese
CID 158977171

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,4-dimethyl-6-nitrophenol?
The IUPAC name of 2-chloro-3,4-dimethyl-6-nitrophenol (CID 10821959) is 2-chloro-3,4-dimethyl-6-nitrophenol.
What is the SMILES notation for 2-chloro-3,4-dimethyl-6-nitrophenol?
The canonical SMILES for 2-chloro-3,4-dimethyl-6-nitrophenol is Cc1cc([N+](=O)[O-])c(O)c(Cl)c1C.
What is the InChIKey of 2-chloro-3,4-dimethyl-6-nitrophenol?
The InChIKey is HZMAMKMOZXKFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-4-3-6(10(12)13)8(11)7(9)5(4)2/h3,11H,1-2H3.
What are the key properties of 2-chloro-3,4-dimethyl-6-nitrophenol?
2-chloro-3,4-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 2-chloro-3,4-dimethyl-6-nitrophenol is sourced from PubChem (CID 10821959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).