4-(5-chloro-1-ethylimidazol-2-yl)phenol

C11H11ClN2O — CID 137000636

IUPAC4-(5-chloro-1-ethylimidazol-2-yl)phenol
SMILESCCn1c(Cl)cnc1-c1ccc(O)cc1
InChIInChI=1S/C11H11ClN2O/c1-2-14-10(12)7-13-11(14)8-3-5-9(15)6-4-8/h3-7,15H,2H2,1H3
InChIKeyDJFBJUWWCCRDOH-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.93
Rot. Bonds2

About 4-(5-chloro-1-ethylimidazol-2-yl)phenol

4-(5-chloro-1-ethylimidazol-2-yl)phenol (PubChem CID 137000636) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-(5-chloro-1-ethylimidazol-2-yl)phenol.

Molecular Properties

Compound Name4-(5-chloro-1-ethylimidazol-2-yl)phenol
PubChem CID137000636
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name4-(5-chloro-1-ethylimidazol-2-yl)phenol
SMILESCCn1c(Cl)cnc1-c1ccc(O)cc1
InChIInChI=1S/C11H11ClN2O/c1-2-14-10(12)7-13-11(14)8-3-5-9(15)6-4-8/h3-7,15H,2H2,1H3
InChIKeyDJFBJUWWCCRDOH-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-ethyl-2-(4-methylphenyl)imidazole
CID 117259483
5-chloro-2-(5-chlorofuran-2-yl)-1-ethylimidazole
CID 117259364
4-(2-ethyl-1,2,4-triazol-3-yl)phenol
CID 136641819
4-(5-methylpyrimidin-2-yl)phenol
CID 135581358
4-(1-ethyl-4-methylpyrazol-5-yl)phenol
CID 136765379
1-butyl-5-chloro-2-methylimidazole
CID 123569144
5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole
CID 117259482
3-(chloromethyl)-5-(4-chlorophenyl)-4-ethyl-1,2,4-triazole
CID 115398022
4-(2-chloropyrimidin-5-yl)phenol
CID 102475277
4-(8-methylimidazo[1,5-a]pyridin-3-yl)phenol
CID 137006648
4-(4-chloro-2-methylpyrimidin-5-yl)phenol
CID 117260826
2-[[4-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
CID 3166912

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-ethylimidazol-2-yl)phenol?
The IUPAC name of 4-(5-chloro-1-ethylimidazol-2-yl)phenol (CID 137000636) is 4-(5-chloro-1-ethylimidazol-2-yl)phenol.
What is the SMILES notation for 4-(5-chloro-1-ethylimidazol-2-yl)phenol?
The canonical SMILES for 4-(5-chloro-1-ethylimidazol-2-yl)phenol is CCn1c(Cl)cnc1-c1ccc(O)cc1.
What is the InChIKey of 4-(5-chloro-1-ethylimidazol-2-yl)phenol?
The InChIKey is DJFBJUWWCCRDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-2-14-10(12)7-13-11(14)8-3-5-9(15)6-4-8/h3-7,15H,2H2,1H3.
What are the key properties of 4-(5-chloro-1-ethylimidazol-2-yl)phenol?
4-(5-chloro-1-ethylimidazol-2-yl)phenol has a molecular weight of 222.68 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-ethylimidazol-2-yl)phenol is sourced from PubChem (CID 137000636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).