(1-ethylimidazol-2-yl)-(3-methoxyphenyl)methanol

C13H16N2O2 — CID 2890946

IUPAC(1-ethylimidazol-2-yl)-(3-methoxyphenyl)methanol
SMILESCCn1ccnc1C(O)c1cccc(OC)c1
InChIInChI=1S/C13H16N2O2/c1-3-15-8-7-14-13(15)12(16)10-5-4-6-11(9-10)17-2/h4-9,12,16H,3H2,1-2H3
InChIKeyCFCGUCORRSEWOX-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.99
Rot. Bonds4

About (1-ethylimidazol-2-yl)-(3-methoxyphenyl)methanol

(1-ethylimidazol-2-yl)-(3-methoxyphenyl)methanol (PubChem CID 2890946) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(3-methoxyphenyl)methanol
PubChem CID2890946
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(1-ethylimidazol-2-yl)-(3-methoxyphenyl)methanol
SMILESCCn1ccnc1C(O)c1cccc(OC)c1
InChIInChI=1S/C13H16N2O2/c1-3-15-8-7-14-13(15)12(16)10-5-4-6-11(9-10)17-2/h4-9,12,16H,3H2,1-2H3
InChIKeyCFCGUCORRSEWOX-UHFFFAOYSA-N
XLogP1.99
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(3-methoxyphenyl)methanol?
The IUPAC name of (1-ethylimidazol-2-yl)-(3-methoxyphenyl)methanol (CID 2890946) is (1-ethylimidazol-2-yl)-(3-methoxyphenyl)methanol.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(3-methoxyphenyl)methanol?
The canonical SMILES for (1-ethylimidazol-2-yl)-(3-methoxyphenyl)methanol is CCn1ccnc1C(O)c1cccc(OC)c1.
What is the InChIKey of (1-ethylimidazol-2-yl)-(3-methoxyphenyl)methanol?
The InChIKey is CFCGUCORRSEWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-15-8-7-14-13(15)12(16)10-5-4-6-11(9-10)17-2/h4-9,12,16H,3H2,1-2H3.
What are the key properties of (1-ethylimidazol-2-yl)-(3-methoxyphenyl)methanol?
(1-ethylimidazol-2-yl)-(3-methoxyphenyl)methanol has a molecular weight of 232.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(3-methoxyphenyl)methanol is sourced from PubChem (CID 2890946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).