[3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol

C13H14Cl2N2O2 — CID 61493875

IUPAC[3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol
SMILESCc1nccn1CCOc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C13H14Cl2N2O2/c1-9-16-2-3-17(9)4-5-19-13-10(8-18)6-11(14)7-12(13)15/h2-3,6-7,18H,4-5,8H2,1H3
InChIKeyOPEOIWGNLOGEOL-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.07
Rot. Bonds5

About [3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol

[3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol (PubChem CID 61493875) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is [3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol
PubChem CID61493875
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name[3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol
SMILESCc1nccn1CCOc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C13H14Cl2N2O2/c1-9-16-2-3-17(9)4-5-19-13-10(8-18)6-11(14)7-12(13)15/h2-3,6-7,18H,4-5,8H2,1H3
InChIKeyOPEOIWGNLOGEOL-UHFFFAOYSA-N
XLogP3.07
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol
CID 62736229
3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide
CID 82917892
[3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol
CID 43516162
3-chloro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961449
[3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003499
[3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol
CID 63051116
1-[3-chloro-5-methoxy-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 61492912
1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 61493141
2-[2-(2-methylimidazol-1-yl)ethoxy]ethanol
CID 61075883
1-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylimidazole
CID 82727722
1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol
CID 60884982
N-[[5-bromo-3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 115961191

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol?
The IUPAC name of [3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol (CID 61493875) is [3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol.
What is the SMILES notation for [3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol?
The canonical SMILES for [3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol is Cc1nccn1CCOc1c(Cl)cc(Cl)cc1CO.
What is the InChIKey of [3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol?
The InChIKey is OPEOIWGNLOGEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-9-16-2-3-17(9)4-5-19-13-10(8-18)6-11(14)7-12(13)15/h2-3,6-7,18H,4-5,8H2,1H3.
What are the key properties of [3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol?
[3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol has a molecular weight of 301.17 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol is sourced from PubChem (CID 61493875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).