(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol

C13H16N2O3 — CID 2870378

IUPAC(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
SMILESCOc1cccc(C(O)c2nccn2C)c1OC
InChIInChI=1S/C13H16N2O3/c1-15-8-7-14-13(15)11(16)9-5-4-6-10(17-2)12(9)18-3/h4-8,11,16H,1-3H3
InChIKeyKWTMBPWBXSVFRA-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.52
Rot. Bonds4

About (2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol

(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol (PubChem CID 2870378) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
PubChem CID2870378
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
SMILESCOc1cccc(C(O)c2nccn2C)c1OC
InChIInChI=1S/C13H16N2O3/c1-15-8-7-14-13(15)11(16)9-5-4-6-10(17-2)12(9)18-3/h4-8,11,16H,1-3H3
InChIKeyKWTMBPWBXSVFRA-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

(2,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
CID 2891507
N-[(R)-(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 95806849
(2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63961353
N-[(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyridine-3-carboxamide
CID 16674232
(S)-(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol
CID 730697
(2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 2870450
(3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol
CID 64713098
(2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634621
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 82811959
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid
CID 71306308
(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol
CID 26722436

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol (CID 2870378) is (2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol is COc1cccc(C(O)c2nccn2C)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol?
The InChIKey is KWTMBPWBXSVFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15-8-7-14-13(15)11(16)9-5-4-6-10(17-2)12(9)18-3/h4-8,11,16H,1-3H3.
What are the key properties of (2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol?
(2,3-dimethoxyphenyl)-(1-methylimidazol-2-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 (2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 2870378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).