[3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol

C13H14Cl2N2O2 — CID 62736229

IUPAC[3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol
SMILESCCn1ccnc1COc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C13H14Cl2N2O2/c1-2-17-4-3-16-12(17)8-19-13-9(7-18)5-10(14)6-11(13)15/h3-6,18H,2,7-8H2,1H3
InChIKeyJHHHNGGLUWLXDR-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.28
Rot. Bonds5

About [3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol

[3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol (PubChem CID 62736229) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is [3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol
PubChem CID62736229
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name[3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol
SMILESCCn1ccnc1COc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C13H14Cl2N2O2/c1-2-17-4-3-16-12(17)8-19-13-9(7-18)5-10(14)6-11(13)15/h3-6,18H,2,7-8H2,1H3
InChIKeyJHHHNGGLUWLXDR-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid
CID 62737720
[3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol
CID 61493875
1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 104664487
[2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol
CID 62735495
3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]-5-methoxybenzoic acid
CID 62737339
1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608626
3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]benzaldehyde
CID 62406949
[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046936
[3,5-dichloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanol
CID 43646746
[3,5-dichloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43516151
[3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol
CID 43516207
1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol
CID 60884982

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol?
The IUPAC name of [3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol (CID 62736229) is [3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol is CCn1ccnc1COc1c(Cl)cc(Cl)cc1CO.
What is the InChIKey of [3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol?
The InChIKey is JHHHNGGLUWLXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-2-17-4-3-16-12(17)8-19-13-9(7-18)5-10(14)6-11(13)15/h3-6,18H,2,7-8H2,1H3.
What are the key properties of [3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol?
[3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol has a molecular weight of 301.17 g/mol, XLogP of 3.28, 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-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 62736229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).