[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol

C12H12ClN3O4 — CID 43326941

IUPAC[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol
SMILESCn1c(Cl)cnc1COc1ccc(CO)cc1[N+](=O)[O-]
InChIInChI=1S/C12H12ClN3O4/c1-15-11(13)5-14-12(15)7-20-10-3-2-8(6-17)4-9(10)16(18)19/h2-5,17H,6-7H2,1H3
InChIKeyHJHJWSSIECFSAI-UHFFFAOYSA-N
MW297.70 g/mol
LogP2.05
Rot. Bonds5

About [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol

[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol (PubChem CID 43326941) has the molecular formula C12H12ClN3O4 and a molecular weight of 297.70 g/mol. Its IUPAC name is [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol.

Molecular Properties

Compound Name[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol
PubChem CID43326941
Molecular FormulaC12H12ClN3O4
Molecular Weight297.70 g/mol
Exact Mass297.05
IUPAC Name[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol
SMILESCn1c(Cl)cnc1COc1ccc(CO)cc1[N+](=O)[O-]
InChIInChI=1S/C12H12ClN3O4/c1-15-11(13)5-14-12(15)7-20-10-3-2-8(6-17)4-9(10)16(18)19/h2-5,17H,6-7H2,1H3
InChIKeyHJHJWSSIECFSAI-UHFFFAOYSA-N
XLogP2.05
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 52.05
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-nitrophenyl]methanol
CID 43326894
[4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol
CID 102881576
[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol
CID 28963761
[4-[(3,5-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 105404109
[4-[(E)-3-chloroprop-2-enoxy]-3-nitrophenyl]methanol
CID 43137779
[4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol
CID 115982092
[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 82917501
[4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 114930513
2-[[4-(hydroxymethyl)-2-nitrophenoxy]methyl]benzonitrile
CID 43319804
[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine
CID 60878684
[4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol
CID 43137760
[4-[(4-fluoro-2-methylphenyl)methoxy]-3-nitrophenyl]methanol
CID 114346258

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol?
The IUPAC name of [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol (CID 43326941) is [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol.
What is the SMILES notation for [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol?
The canonical SMILES for [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol is Cn1c(Cl)cnc1COc1ccc(CO)cc1[N+](=O)[O-].
What is the InChIKey of [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol?
The InChIKey is HJHJWSSIECFSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O4/c1-15-11(13)5-14-12(15)7-20-10-3-2-8(6-17)4-9(10)16(18)19/h2-5,17H,6-7H2,1H3.
What are the key properties of [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol?
[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol has a molecular weight of 297.70 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol is sourced from PubChem (CID 43326941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).