2,4-dichloro-6-[2-(1H-imidazol-2-yl)ethenyl]phenol

C11H8Cl2N2O — CID 173433940

IUPAC2,4-dichloro-6-[2-(1H-imidazol-2-yl)ethenyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1C=Cc1ncc[nH]1
InChIInChI=1S/C11H8Cl2N2O/c12-8-5-7(11(16)9(13)6-8)1-2-10-14-3-4-15-10/h1-6,16H,(H,14,15)
InChIKeyRRRPMFXMANUFEN-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.59
Rot. Bonds2

About 2,4-dichloro-6-[2-(1H-imidazol-2-yl)ethenyl]phenol

2,4-dichloro-6-[2-(1H-imidazol-2-yl)ethenyl]phenol (PubChem CID 173433940) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 2,4-dichloro-6-[2-(1H-imidazol-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[2-(1H-imidazol-2-yl)ethenyl]phenol
PubChem CID173433940
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name2,4-dichloro-6-[2-(1H-imidazol-2-yl)ethenyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1C=Cc1ncc[nH]1
InChIInChI=1S/C11H8Cl2N2O/c12-8-5-7(11(16)9(13)6-8)1-2-10-14-3-4-15-10/h1-6,16H,(H,14,15)
InChIKeyRRRPMFXMANUFEN-UHFFFAOYSA-N
XLogP3.59
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[2-(1H-imidazol-2-yl)ethenyl]phenol?
The IUPAC name of 2,4-dichloro-6-[2-(1H-imidazol-2-yl)ethenyl]phenol (CID 173433940) is 2,4-dichloro-6-[2-(1H-imidazol-2-yl)ethenyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[2-(1H-imidazol-2-yl)ethenyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[2-(1H-imidazol-2-yl)ethenyl]phenol is Oc1c(Cl)cc(Cl)cc1C=Cc1ncc[nH]1.
What is the InChIKey of 2,4-dichloro-6-[2-(1H-imidazol-2-yl)ethenyl]phenol?
The InChIKey is RRRPMFXMANUFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-8-5-7(11(16)9(13)6-8)1-2-10-14-3-4-15-10/h1-6,16H,(H,14,15).
What are the key properties of 2,4-dichloro-6-[2-(1H-imidazol-2-yl)ethenyl]phenol?
2,4-dichloro-6-[2-(1H-imidazol-2-yl)ethenyl]phenol has a molecular weight of 255.10 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[2-(1H-imidazol-2-yl)ethenyl]phenol is sourced from PubChem (CID 173433940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).