(2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol

C14H18N2O2 — CID 2859169

IUPAC(2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol
SMILESCCc1ncc(C(O)c2ccc(OC)cc2)n1C
InChIInChI=1S/C14H18N2O2/c1-4-13-15-9-12(16(13)2)14(17)10-5-7-11(18-3)8-6-10/h5-9,14,17H,4H2,1-3H3
InChIKeyUOXVSZGTOYHQKZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.07
Rot. Bonds4

About (2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol

(2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol (PubChem CID 2859169) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol
PubChem CID2859169
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol
SMILESCCc1ncc(C(O)c2ccc(OC)cc2)n1C
InChIInChI=1S/C14H18N2O2/c1-4-13-15-9-12(16(13)2)14(17)10-5-7-11(18-3)8-6-10/h5-9,14,17H,4H2,1-3H3
InChIKeyUOXVSZGTOYHQKZ-UHFFFAOYSA-N
XLogP2.07
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol?
The IUPAC name of (2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol (CID 2859169) is (2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol.
What is the SMILES notation for (2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol?
The canonical SMILES for (2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol is CCc1ncc(C(O)c2ccc(OC)cc2)n1C.
What is the InChIKey of (2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol?
The InChIKey is UOXVSZGTOYHQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-13-15-9-12(16(13)2)14(17)10-5-7-11(18-3)8-6-10/h5-9,14,17H,4H2,1-3H3.
What are the key properties of (2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol?
(2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol has a molecular weight of 246.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol is sourced from PubChem (CID 2859169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).