(2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone

C12H12N2O2 — CID 110462638

IUPAC(2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone
SMILESCCc1nccn1C(=O)c1ccc(O)cc1
InChIInChI=1S/C12H12N2O2/c1-2-11-13-7-8-14(11)12(16)9-3-5-10(15)6-4-9/h3-8,15H,2H2,1H3
InChIKeyJJJWXXLTFCODMB-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.84
Rot. Bonds2

About (2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone

(2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone (PubChem CID 110462638) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone
PubChem CID110462638
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone
SMILESCCc1nccn1C(=O)c1ccc(O)cc1
InChIInChI=1S/C12H12N2O2/c1-2-11-13-7-8-14(11)12(16)9-3-5-10(15)6-4-9/h3-8,15H,2H2,1H3
InChIKeyJJJWXXLTFCODMB-UHFFFAOYSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminophenyl)-(2-ethylimidazol-1-yl)methanone
CID 110462577
1-(2-ethylimidazol-1-yl)propan-1-one
CID 110459273
2-ethyl-N,N-dimethylimidazole-1-carboxamide
CID 110459897
(2-ethylimidazol-1-yl)-(2-methoxyphenyl)methanone
CID 110463081
(3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone
CID 110463745
3,3-bis(2-ethylimidazol-1-yl)prop-2-enal
CID 170945897
benzyl 2-ethylimidazole-1-carboxylate
CID 23385831
ethyl 2-(2-ethylimidazol-1-yl)-2-oxoacetate
CID 110461523
(4-bromophenyl)-(2-methylimidazol-1-yl)methanone
CID 110464875
butyl 2-ethylimidazole-1-carboxylate
CID 154015301
4-amino-1-(2-ethylimidazol-1-yl)butan-1-one
CID 110460746
3-(dimethylamino)-1-(2-ethylimidazol-1-yl)prop-2-en-1-one
CID 91609841

Frequently Asked Questions

What is the IUPAC name of (2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone (CID 110462638) is (2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone is CCc1nccn1C(=O)c1ccc(O)cc1.
What is the InChIKey of (2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone?
The InChIKey is JJJWXXLTFCODMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-11-13-7-8-14(11)12(16)9-3-5-10(15)6-4-9/h3-8,15H,2H2,1H3.
What are the key properties of (2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone?
(2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone has a molecular weight of 216.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 110462638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).