[4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol

C12H13N3O4 — CID 43326894

IUPAC[4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol
SMILESCn1ccnc1COc1ccc(CO)cc1[N+](=O)[O-]
InChIInChI=1S/C12H13N3O4/c1-14-5-4-13-12(14)8-19-11-3-2-9(7-16)6-10(11)15(17)18/h2-6,16H,7-8H2,1H3
InChIKeyWZIAOBZWIGCNPE-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.40
Rot. Bonds5

About [4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol

[4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol (PubChem CID 43326894) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is [4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol.

Molecular Properties

Compound Name[4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol
PubChem CID43326894
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name[4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol
SMILESCn1ccnc1COc1ccc(CO)cc1[N+](=O)[O-]
InChIInChI=1S/C12H13N3O4/c1-14-5-4-13-12(14)8-19-11-3-2-9(7-16)6-10(11)15(17)18/h2-6,16H,7-8H2,1H3
InChIKeyWZIAOBZWIGCNPE-UHFFFAOYSA-N
XLogP1.40
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-nitrobenzaldehyde
CID 43326878
[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol
CID 43326941
[5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol
CID 43311683
[4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol
CID 115982092
[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-nitrophenyl]methanamine
CID 60878126
[4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol
CID 102881576
[4-[(3,5-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 105404109
[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 82917501
[4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 114930513
[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol
CID 28963761
2-[[4-(hydroxymethyl)-2-nitrophenoxy]methyl]benzonitrile
CID 43319804
4-[2-(1-methylimidazol-2-yl)ethoxy]-3-nitrobenzaldehyde
CID 114528018

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol?
The IUPAC name of [4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol (CID 43326894) is [4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol.
What is the SMILES notation for [4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol?
The canonical SMILES for [4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol is Cn1ccnc1COc1ccc(CO)cc1[N+](=O)[O-].
What is the InChIKey of [4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol?
The InChIKey is WZIAOBZWIGCNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-14-5-4-13-12(14)8-19-11-3-2-9(7-16)6-10(11)15(17)18/h2-6,16H,7-8H2,1H3.
What are the key properties of [4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol?
[4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol has a molecular weight of 263.25 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol is sourced from PubChem (CID 43326894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).