[1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol

C17H23ClN2O3 — CID 19378825

IUPAC[1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol
SMILESCOc1ccc(OCCCCCCn2ccnc2CO)c(Cl)c1
InChIInChI=1S/C17H23ClN2O3/c1-22-14-6-7-16(15(18)12-14)23-11-5-3-2-4-9-20-10-8-19-17(20)13-21/h6-8,10,12,21H,2-5,9,11,13H2,1H3
InChIKeyJTAKLKKRYRQMCL-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.68
Rot. Bonds10

About [1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol

[1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol (PubChem CID 19378825) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is [1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol
PubChem CID19378825
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name[1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol
SMILESCOc1ccc(OCCCCCCn2ccnc2CO)c(Cl)c1
InChIInChI=1S/C17H23ClN2O3/c1-22-14-6-7-16(15(18)12-14)23-11-5-3-2-4-9-20-10-8-19-17(20)13-21/h6-8,10,12,21H,2-5,9,11,13H2,1H3
InChIKeyJTAKLKKRYRQMCL-UHFFFAOYSA-N
XLogP3.68
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378818
1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378833
1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole
CID 18921807
1-[6-(2-chloro-4-methoxyphenoxy)hexyl]pyrrolidine
CID 18921937
2-acetyl-9-(2-chloro-4-methoxyphenoxy)nonanoic acid
CID 70611457
2-[7-(2-chloro-4-methoxyphenoxy)heptyl]-1H-imidazole
CID 18921827
1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 19378809
1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole
CID 75396526
[3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528359
2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride
CID 171150550
4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-dimethyl-1H-pyrazole
CID 6482601
1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole
CID 2935203

Frequently Asked Questions

What is the IUPAC name of [1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol?
The IUPAC name of [1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol (CID 19378825) is [1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol.
What is the SMILES notation for [1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol?
The canonical SMILES for [1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol is COc1ccc(OCCCCCCn2ccnc2CO)c(Cl)c1.
What is the InChIKey of [1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol?
The InChIKey is JTAKLKKRYRQMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-22-14-6-7-16(15(18)12-14)23-11-5-3-2-4-9-20-10-8-19-17(20)13-21/h6-8,10,12,21H,2-5,9,11,13H2,1H3.
What are the key properties of [1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol?
[1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol has a molecular weight of 338.84 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol is sourced from PubChem (CID 19378825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).