[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol

C12H13ClN2O2 — CID 114320427

IUPAC[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol
SMILESOCc1c(Cl)cccc1OCCn1ccnc1
InChIInChI=1S/C12H13ClN2O2/c13-11-2-1-3-12(10(11)8-16)17-7-6-15-5-4-14-9-15/h1-5,9,16H,6-8H2
InChIKeyJEZHPFGKACOPEI-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.11
Rot. Bonds5

About [2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol

[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol (PubChem CID 114320427) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is [2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol
PubChem CID114320427
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol
SMILESOCc1c(Cl)cccc1OCCn1ccnc1
InChIInChI=1S/C12H13ClN2O2/c13-11-2-1-3-12(10(11)8-16)17-7-6-15-5-4-14-9-15/h1-5,9,16H,6-8H2
InChIKeyJEZHPFGKACOPEI-UHFFFAOYSA-N
XLogP2.11
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 114319341
[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol
CID 112612886
[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methanol
CID 114320498
8-(2-imidazol-1-ylethoxy)quinoline
CID 24849052
1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole
CID 2993147
[2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol
CID 114525693
2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride
CID 75531590
(E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
CID 47789670
4-[3-chloro-2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 114320455
(2-chloro-6-pent-4-enoxyphenyl)methanol
CID 114320409
[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 113276561
1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60878818

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol?
The IUPAC name of [2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol (CID 114320427) is [2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol.
What is the SMILES notation for [2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol?
The canonical SMILES for [2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol is OCc1c(Cl)cccc1OCCn1ccnc1.
What is the InChIKey of [2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol?
The InChIKey is JEZHPFGKACOPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-11-2-1-3-12(10(11)8-16)17-7-6-15-5-4-14-9-15/h1-5,9,16H,6-8H2.
What are the key properties of [2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol?
[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol has a molecular weight of 252.70 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol is sourced from PubChem (CID 114320427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).