[4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol

C13H15N3O5 — CID 43311703

IUPAC[4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol
SMILESCOc1cc(CO)c([N+](=O)[O-])cc1OCCn1ccnc1
InChIInChI=1S/C13H15N3O5/c1-20-12-6-10(8-17)11(16(18)19)7-13(12)21-5-4-15-3-2-14-9-15/h2-3,6-7,9,17H,4-5,8H2,1H3
InChIKeyJGQXWKFZRVQPEG-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.37
Rot. Bonds7

About [4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol

[4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol (PubChem CID 43311703) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is [4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol.

Molecular Properties

Compound Name[4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol
PubChem CID43311703
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name[4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol
SMILESCOc1cc(CO)c([N+](=O)[O-])cc1OCCn1ccnc1
InChIInChI=1S/C13H15N3O5/c1-20-12-6-10(8-17)11(16(18)19)7-13(12)21-5-4-15-3-2-14-9-15/h2-3,6-7,9,17H,4-5,8H2,1H3
InChIKeyJGQXWKFZRVQPEG-UHFFFAOYSA-N
XLogP1.37
TPSA99.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.37
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

[5-methoxy-2-nitro-4-(2-nitroethoxy)phenyl]methanol
CID 139644749
[5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol
CID 43311683
(4-ethoxy-5-methoxy-2-nitrophenyl)methanol
CID 43311689
[4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol
CID 43311741
[4-(2-ethylsulfonylethoxy)-5-methoxy-2-nitrophenyl]methanol
CID 43807940
(4-hept-6-enoxy-5-methoxy-2-nitrophenyl)methanol
CID 107007463
(5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol
CID 162372482
[5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol
CID 43311708
2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]-N-propylacetamide
CID 43311733
N-[(4-methoxy-2-nitro-5-propoxyphenyl)methyl]ethanamine
CID 112720449
1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole
CID 112728227
7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one
CID 135490844

Frequently Asked Questions

What is the IUPAC name of [4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol?
The IUPAC name of [4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol (CID 43311703) is [4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol.
What is the SMILES notation for [4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol?
The canonical SMILES for [4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol is COc1cc(CO)c([N+](=O)[O-])cc1OCCn1ccnc1.
What is the InChIKey of [4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol?
The InChIKey is JGQXWKFZRVQPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-20-12-6-10(8-17)11(16(18)19)7-13(12)21-5-4-15-3-2-14-9-15/h2-3,6-7,9,17H,4-5,8H2,1H3.
What are the key properties of [4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol?
[4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol has a molecular weight of 293.28 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol is sourced from PubChem (CID 43311703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).