(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol

C13H16N2O3 — CID 107978350

IUPAC(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol
SMILESCOc1ccc(OC)c(C(O)c2cn(C)cn2)c1
InChIInChI=1S/C13H16N2O3/c1-15-7-11(14-8-15)13(16)10-6-9(17-2)4-5-12(10)18-3/h4-8,13,16H,1-3H3
InChIKeyLLTQGUREVSWBRE-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.52
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol

(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol (PubChem CID 107978350) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol
PubChem CID107978350
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol
SMILESCOc1ccc(OC)c(C(O)c2cn(C)cn2)c1
InChIInChI=1S/C13H16N2O3/c1-15-7-11(14-8-15)13(16)10-6-9(17-2)4-5-12(10)18-3/h4-8,13,16H,1-3H3
InChIKeyLLTQGUREVSWBRE-UHFFFAOYSA-N
XLogP1.52
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107975141
(3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol
CID 114023372
(2,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
CID 2891507
(2,5-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105096441
(5-methoxy-3-pyridinyl)-(1-methylimidazol-4-yl)methanol
CID 107978609
(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methanol
CID 107978634
(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol
CID 107978391
(2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol
CID 107978292
(2,5-dimethoxyphenyl)-(3-methyl-2-pyridinyl)methanol
CID 62801655
(2,5-dimethoxyphenyl)-(1-ethylimidazol-2-yl)methanol
CID 3140475
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
(3,5-difluorophenyl)-(2,5-dimethoxyphenyl)methanol
CID 61100568

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol?
The IUPAC name of (2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol (CID 107978350) is (2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol?
The canonical SMILES for (2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol is COc1ccc(OC)c(C(O)c2cn(C)cn2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol?
The InChIKey is LLTQGUREVSWBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15-7-11(14-8-15)13(16)10-6-9(17-2)4-5-12(10)18-3/h4-8,13,16H,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol?
(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol has a molecular weight of 248.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol is sourced from PubChem (CID 107978350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).