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

C14H17ClN2O3 — CID 114528334

IUPAC[3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
SMILESCOc1cc(CO)cc(Cl)c1OCCc1nccn1C
InChIInChI=1S/C14H17ClN2O3/c1-17-5-4-16-13(17)3-6-20-14-11(15)7-10(9-18)8-12(14)19-2/h4-5,7-8,18H,3,6,9H2,1-2H3
InChIKeyHPPRETMJTMQLOU-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.20
Rot. Bonds6

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

[3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol (PubChem CID 114528334) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is [3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
PubChem CID114528334
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name[3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
SMILESCOc1cc(CO)cc(Cl)c1OCCc1nccn1C
InChIInChI=1S/C14H17ClN2O3/c1-17-5-4-16-13(17)3-6-20-14-11(15)7-10(9-18)8-12(14)19-2/h4-5,7-8,18H,3,6,9H2,1-2H3
InChIKeyHPPRETMJTMQLOU-UHFFFAOYSA-N
XLogP2.20
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]ethyl]-1-methylimidazole
CID 114528422
[3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528359
[3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
CID 114527174
2-[2-[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]ethyl]-1-methylimidazole
CID 114528447
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258
2-[2-[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]ethyl]-1-methylimidazole
CID 114528471
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
[3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol
CID 54958089
[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528338
N-[[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527142
1-(3-chloro-4,5-dimethoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530018
1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
CID 60883908

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol?
The IUPAC name of [3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol (CID 114528334) is [3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol.
What is the SMILES notation for [3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol?
The canonical SMILES for [3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol is COc1cc(CO)cc(Cl)c1OCCc1nccn1C.
What is the InChIKey of [3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol?
The InChIKey is HPPRETMJTMQLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-17-5-4-16-13(17)3-6-20-14-11(15)7-10(9-18)8-12(14)19-2/h4-5,7-8,18H,3,6,9H2,1-2H3.
What are the key properties of [3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol?
[3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol has a molecular weight of 296.75 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol is sourced from PubChem (CID 114528334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).