2-[4-(4-imidazol-1-ylhexan-2-yl)phenoxy]ethanol

C17H24N2O2 — CID 58586517

IUPAC2-[4-(4-imidazol-1-ylhexan-2-yl)phenoxy]ethanol
SMILESCCC(CC(C)c1ccc(OCCO)cc1)n1ccnc1
InChIInChI=1S/C17H24N2O2/c1-3-16(19-9-8-18-13-19)12-14(2)15-4-6-17(7-5-15)21-11-10-20/h4-9,13-14,16,20H,3,10-12H2,1-2H3
InChIKeyIBQAGFWUCLKLHD-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.40
Rot. Bonds8

About 2-[4-(4-imidazol-1-ylhexan-2-yl)phenoxy]ethanol

2-[4-(4-imidazol-1-ylhexan-2-yl)phenoxy]ethanol (PubChem CID 58586517) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[4-(4-imidazol-1-ylhexan-2-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-(4-imidazol-1-ylhexan-2-yl)phenoxy]ethanol
PubChem CID58586517
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[4-(4-imidazol-1-ylhexan-2-yl)phenoxy]ethanol
SMILESCCC(CC(C)c1ccc(OCCO)cc1)n1ccnc1
InChIInChI=1S/C17H24N2O2/c1-3-16(19-9-8-18-13-19)12-14(2)15-4-6-17(7-5-15)21-11-10-20/h4-9,13-14,16,20H,3,10-12H2,1-2H3
InChIKeyIBQAGFWUCLKLHD-UHFFFAOYSA-N
XLogP3.40
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-imidazol-1-ylhexan-2-yl)phenoxy]ethanol?
The IUPAC name of 2-[4-(4-imidazol-1-ylhexan-2-yl)phenoxy]ethanol (CID 58586517) is 2-[4-(4-imidazol-1-ylhexan-2-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[4-(4-imidazol-1-ylhexan-2-yl)phenoxy]ethanol?
The canonical SMILES for 2-[4-(4-imidazol-1-ylhexan-2-yl)phenoxy]ethanol is CCC(CC(C)c1ccc(OCCO)cc1)n1ccnc1.
What is the InChIKey of 2-[4-(4-imidazol-1-ylhexan-2-yl)phenoxy]ethanol?
The InChIKey is IBQAGFWUCLKLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-16(19-9-8-18-13-19)12-14(2)15-4-6-17(7-5-15)21-11-10-20/h4-9,13-14,16,20H,3,10-12H2,1-2H3.
What are the key properties of 2-[4-(4-imidazol-1-ylhexan-2-yl)phenoxy]ethanol?
2-[4-(4-imidazol-1-ylhexan-2-yl)phenoxy]ethanol has a molecular weight of 288.39 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-imidazol-1-ylhexan-2-yl)phenoxy]ethanol is sourced from PubChem (CID 58586517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).