[5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol

C13H15N3O5 — CID 43311683

IUPAC[5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol
SMILESCOc1cc(CO)c([N+](=O)[O-])cc1OCc1nccn1C
InChIInChI=1S/C13H15N3O5/c1-15-4-3-14-13(15)8-21-12-6-10(16(18)19)9(7-17)5-11(12)20-2/h3-6,17H,7-8H2,1-2H3
InChIKeyMTQMTFMFRRFKKZ-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.41
Rot. Bonds6

About [5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol

[5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol (PubChem CID 43311683) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is [5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol.

Molecular Properties

Compound Name[5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol
PubChem CID43311683
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name[5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol
SMILESCOc1cc(CO)c([N+](=O)[O-])cc1OCc1nccn1C
InChIInChI=1S/C13H15N3O5/c1-15-4-3-14-13(15)8-21-12-6-10(16(18)19)9(7-17)5-11(12)20-2/h3-6,17H,7-8H2,1-2H3
InChIKeyMTQMTFMFRRFKKZ-UHFFFAOYSA-N
XLogP1.41
TPSA99.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol
CID 43326894
[4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol
CID 43311703
(4-ethoxy-5-methoxy-2-nitrophenyl)methanol
CID 43311689
[5-methoxy-2-nitro-4-(2-nitroethoxy)phenyl]methanol
CID 139644749
ethanol;1-methyl-2-[[6,13,20-trimethoxy-12,19-bis[(1-methylimidazol-2-yl)methoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]imidazole
CID 139144903
[5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol
CID 43311708
[4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol
CID 43311741
[4-(2-ethylsulfonylethoxy)-5-methoxy-2-nitrophenyl]methanol
CID 43807940
4-[(1-methylimidazol-2-yl)methoxy]-3-nitrobenzaldehyde
CID 43326878
(5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol
CID 162372482
2-[[4-(bromomethyl)-2-methoxy-5-nitrophenoxy]methyl]pyrimidine
CID 62699573
(4-hept-6-enoxy-5-methoxy-2-nitrophenyl)methanol
CID 107007463

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol?
The IUPAC name of [5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol (CID 43311683) is [5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol.
What is the SMILES notation for [5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol?
The canonical SMILES for [5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol is COc1cc(CO)c([N+](=O)[O-])cc1OCc1nccn1C.
What is the InChIKey of [5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol?
The InChIKey is MTQMTFMFRRFKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-15-4-3-14-13(15)8-21-12-6-10(16(18)19)9(7-17)5-11(12)20-2/h3-6,17H,7-8H2,1-2H3.
What are the key properties of [5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol?
[5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol has a molecular weight of 293.28 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol is sourced from PubChem (CID 43311683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).