4-chloro-3-methyl-5-nitrophenol

C7H6ClNO3 — CID 118799935

IUPAC4-chloro-3-methyl-5-nitrophenol
SMILESCc1cc(O)cc([N+](=O)[O-])c1Cl
InChIInChI=1S/C7H6ClNO3/c1-4-2-5(10)3-6(7(4)8)9(11)12/h2-3,10H,1H3
InChIKeyYEGXZFZRKWAXJT-UHFFFAOYSA-N
MW187.58 g/mol
LogP2.26
Rot. Bonds1

About 4-chloro-3-methyl-5-nitrophenol

4-chloro-3-methyl-5-nitrophenol (PubChem CID 118799935) has the molecular formula C7H6ClNO3 and a molecular weight of 187.58 g/mol. Its IUPAC name is 4-chloro-3-methyl-5-nitrophenol.

Molecular Properties

Compound Name4-chloro-3-methyl-5-nitrophenol
PubChem CID118799935
Molecular FormulaC7H6ClNO3
Molecular Weight187.58 g/mol
Exact Mass187.00
IUPAC Name4-chloro-3-methyl-5-nitrophenol
SMILESCc1cc(O)cc([N+](=O)[O-])c1Cl
InChIInChI=1S/C7H6ClNO3/c1-4-2-5(10)3-6(7(4)8)9(11)12/h2-3,10H,1H3
InChIKeyYEGXZFZRKWAXJT-UHFFFAOYSA-N
XLogP2.26
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.58
LogP ≤ 52.26
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-methyl-3-nitrophenol
CID 16271
2,4-dichloro-3-methyl-1,5-dinitrobenzene
CID 619578
4-chloro-1,2,3-trimethyl-5-nitrobenzene
CID 162041077
2-chloro-3,4-dimethyl-6-nitrophenol
CID 10821959
ethyl 4-chloro-3-methyl-5-nitrobenzoate
CID 70402498
2,3,4-trichloro-1,5-dinitrobenzene
CID 22875
2-chloro-3-methyl-5-nitrophenol
CID 119016327
2,3-dichloro-4-methyl-6-nitrobenzoic acid
CID 87869855
4-butyl-3,5-dinitrophenol
CID 101292294
3-methoxy-4-methyl-5-nitrophenol
CID 131555284
2-chloro-5-ethyl-3-nitrophenol
CID 165153048
4-hydroxy-2-nitrophenolate
CID 36690956

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-5-nitrophenol?
The IUPAC name of 4-chloro-3-methyl-5-nitrophenol (CID 118799935) is 4-chloro-3-methyl-5-nitrophenol.
What is the SMILES notation for 4-chloro-3-methyl-5-nitrophenol?
The canonical SMILES for 4-chloro-3-methyl-5-nitrophenol is Cc1cc(O)cc([N+](=O)[O-])c1Cl.
What is the InChIKey of 4-chloro-3-methyl-5-nitrophenol?
The InChIKey is YEGXZFZRKWAXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3/c1-4-2-5(10)3-6(7(4)8)9(11)12/h2-3,10H,1H3.
What are the key properties of 4-chloro-3-methyl-5-nitrophenol?
4-chloro-3-methyl-5-nitrophenol has a molecular weight of 187.58 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-5-nitrophenol is sourced from PubChem (CID 118799935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).