4-chloro-2-(3-cyclohexylimidazol-4-yl)phenol

C15H17ClN2O — CID 70925897

IUPAC4-chloro-2-(3-cyclohexylimidazol-4-yl)phenol
SMILESOc1ccc(Cl)cc1-c1cncn1C1CCCCC1
InChIInChI=1S/C15H17ClN2O/c16-11-6-7-15(19)13(8-11)14-9-17-10-18(14)12-4-2-1-3-5-12/h6-10,12,19H,1-5H2
InChIKeyWYTVOTOSHOYYPV-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.41
Rot. Bonds2

About 4-chloro-2-(3-cyclohexylimidazol-4-yl)phenol

4-chloro-2-(3-cyclohexylimidazol-4-yl)phenol (PubChem CID 70925897) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-2-(3-cyclohexylimidazol-4-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-(3-cyclohexylimidazol-4-yl)phenol
PubChem CID70925897
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-2-(3-cyclohexylimidazol-4-yl)phenol
SMILESOc1ccc(Cl)cc1-c1cncn1C1CCCCC1
InChIInChI=1S/C15H17ClN2O/c16-11-6-7-15(19)13(8-11)14-9-17-10-18(14)12-4-2-1-3-5-12/h6-10,12,19H,1-5H2
InChIKeyWYTVOTOSHOYYPV-UHFFFAOYSA-N
XLogP4.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-cyclohexylimidazol-4-yl)phenol?
The IUPAC name of 4-chloro-2-(3-cyclohexylimidazol-4-yl)phenol (CID 70925897) is 4-chloro-2-(3-cyclohexylimidazol-4-yl)phenol.
What is the SMILES notation for 4-chloro-2-(3-cyclohexylimidazol-4-yl)phenol?
The canonical SMILES for 4-chloro-2-(3-cyclohexylimidazol-4-yl)phenol is Oc1ccc(Cl)cc1-c1cncn1C1CCCCC1.
What is the InChIKey of 4-chloro-2-(3-cyclohexylimidazol-4-yl)phenol?
The InChIKey is WYTVOTOSHOYYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-11-6-7-15(19)13(8-11)14-9-17-10-18(14)12-4-2-1-3-5-12/h6-10,12,19H,1-5H2.
What are the key properties of 4-chloro-2-(3-cyclohexylimidazol-4-yl)phenol?
4-chloro-2-(3-cyclohexylimidazol-4-yl)phenol has a molecular weight of 276.77 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-cyclohexylimidazol-4-yl)phenol is sourced from PubChem (CID 70925897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).