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

C14H18N2O2 — CID 797355

IUPAC(S)-(2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol
SMILESCCc1ncc([C@@H](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/t14-/m0/s1
InChIKeyUOXVSZGTOYHQKZ-AWEZNQCLSA-N
MW246.31 g/mol
LogP2.07
Rot. Bonds4

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

(S)-(2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol (PubChem CID 797355) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (S)-(2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(S)-(2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol
PubChem CID797355
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(S)-(2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol
SMILESCCc1ncc([C@@H](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/t14-/m0/s1
InChIKeyUOXVSZGTOYHQKZ-AWEZNQCLSA-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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Related Compounds

(3-methyl-2-propylimidazol-4-yl)-phenylmethanol
CID 3116449
(4-methoxyphenyl)-(6-methyl-3-pyridinyl)methanol
CID 63155903
(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol
CID 66118611
(1,3-dimethylbenzimidazol-3-ium-2-yl)-(4-methoxyphenyl)methanol
CID 102446246
(5-amino-1-methylpyrazol-4-yl)-(4-methoxyphenyl)methanol
CID 65362246
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684701
(4-iodophenyl)-(4-methoxyphenyl)methanol
CID 61098998
[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]-(4-methoxyphenyl)methanol
CID 141159898
3-ethyl-4-[1-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione
CID 66243245
(2-methylpyrazol-3-yl)-(4-propoxyphenyl)methanol
CID 63961553
(4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 105098336

Frequently Asked Questions

What is the IUPAC name of (S)-(2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol?
The IUPAC name of (S)-(2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol (CID 797355) is (S)-(2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol.
What is the SMILES notation for (S)-(2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol?
The canonical SMILES for (S)-(2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol is CCc1ncc([C@@H](O)c2ccc(OC)cc2)n1C.
What is the InChIKey of (S)-(2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol?
The InChIKey is UOXVSZGTOYHQKZ-AWEZNQCLSA-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/t14-/m0/s1.
What are the key properties of (S)-(2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol?
(S)-(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 (S)-(2-ethyl-3-methylimidazol-4-yl)-(4-methoxyphenyl)methanol is sourced from PubChem (CID 797355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).