4-(methoxymethyl)-2-methyl-6-nitrophenol

C9H11NO4 — CID 131500221

IUPAC4-(methoxymethyl)-2-methyl-6-nitrophenol
SMILESCOCc1cc(C)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H11NO4/c1-6-3-7(5-14-2)4-8(9(6)11)10(12)13/h3-4,11H,5H2,1-2H3
InChIKeyVPVNMOBLTIWQDN-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.76
Rot. Bonds3

About 4-(methoxymethyl)-2-methyl-6-nitrophenol

4-(methoxymethyl)-2-methyl-6-nitrophenol (PubChem CID 131500221) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-methyl-6-nitrophenol.

Molecular Properties

Compound Name4-(methoxymethyl)-2-methyl-6-nitrophenol
PubChem CID131500221
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name4-(methoxymethyl)-2-methyl-6-nitrophenol
SMILESCOCc1cc(C)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H11NO4/c1-6-3-7(5-14-2)4-8(9(6)11)10(12)13/h3-4,11H,5H2,1-2H3
InChIKeyVPVNMOBLTIWQDN-UHFFFAOYSA-N
XLogP1.76
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
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

4-(4-hydroxy-3-methyl-5-nitrophenoxy)-2-methyl-6-nitrophenol
CID 57107290
ethane-1,2-diol;2-methyl-4,6-dinitrophenol
CID 87637947
sodium;hydride;2-methyl-4,6-dinitrophenol
CID 173366474
4-(methoxymethyl)-1-[4-(methoxymethyl)-2-nitrophenoxy]-2-nitrobenzene
CID 174451307
methyl 2-(4-hydroxy-3,5-dinitrophenyl)acetate
CID 22938302
1-ethyl-4-(methoxymethyl)-2-nitrobenzene
CID 12708566
2-methyl-4,6-dinitrophenol;2-methyl-1,3,5-trinitrobenzene
CID 87639053
2-methoxy-6-nitro-4-(sulfanylmethyl)phenol
CID 116987643
5-(methoxymethyl)-1,2,3-trimethylbenzene
CID 23572077
methyl 2-(3,4-dimethyl-5-nitrophenyl)acetate
CID 96708480
4-cyclopropyl-2-methyl-6-nitrophenol
CID 12892535
4-(methoxymethyl)-2-[[5-(methoxymethyl)-2,3-dimethylphenyl]methyl]-6-methylphenol
CID 71170030

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-methyl-6-nitrophenol?
The IUPAC name of 4-(methoxymethyl)-2-methyl-6-nitrophenol (CID 131500221) is 4-(methoxymethyl)-2-methyl-6-nitrophenol.
What is the SMILES notation for 4-(methoxymethyl)-2-methyl-6-nitrophenol?
The canonical SMILES for 4-(methoxymethyl)-2-methyl-6-nitrophenol is COCc1cc(C)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(methoxymethyl)-2-methyl-6-nitrophenol?
The InChIKey is VPVNMOBLTIWQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-6-3-7(5-14-2)4-8(9(6)11)10(12)13/h3-4,11H,5H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-2-methyl-6-nitrophenol?
4-(methoxymethyl)-2-methyl-6-nitrophenol has a molecular weight of 197.19 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-methyl-6-nitrophenol is sourced from PubChem (CID 131500221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).