1-[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol

C13H15ClN2O2 — CID 43503636

IUPAC1-[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol
SMILESCC(O)c1ccc(OCc2ncc(Cl)n2C)cc1
InChIInChI=1S/C13H15ClN2O2/c1-9(17)10-3-5-11(6-4-10)18-8-13-15-7-12(14)16(13)2/h3-7,9,17H,8H2,1-2H3
InChIKeyVCGHJXUXIYXPBK-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.71
Rot. Bonds4

About 1-[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol

1-[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol (PubChem CID 43503636) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol
PubChem CID43503636
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol
SMILESCC(O)c1ccc(OCc2ncc(Cl)n2C)cc1
InChIInChI=1S/C13H15ClN2O2/c1-9(17)10-3-5-11(6-4-10)18-8-13-15-7-12(14)16(13)2/h3-7,9,17H,8H2,1-2H3
InChIKeyVCGHJXUXIYXPBK-UHFFFAOYSA-N
XLogP2.71
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol (CID 43503636) is 1-[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol is CC(O)c1ccc(OCc2ncc(Cl)n2C)cc1.
What is the InChIKey of 1-[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol?
The InChIKey is VCGHJXUXIYXPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-9(17)10-3-5-11(6-4-10)18-8-13-15-7-12(14)16(13)2/h3-7,9,17H,8H2,1-2H3.
What are the key properties of 1-[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol?
1-[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol has a molecular weight of 266.73 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 43503636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).