[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol

C13H16N2O2 — CID 62018219

IUPAC[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
SMILESCOc1ccc(CO)cc1Cn1ccnc1C
InChIInChI=1S/C13H16N2O2/c1-10-14-5-6-15(10)8-12-7-11(9-16)3-4-13(12)17-2/h3-7,16H,8-9H2,1-2H3
InChIKeyQTUCHYGFUSWEGQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.74
Rot. Bonds4

About [4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol

[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol (PubChem CID 62018219) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is [4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
PubChem CID62018219
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
SMILESCOc1ccc(CO)cc1Cn1ccnc1C
InChIInChI=1S/C13H16N2O2/c1-10-14-5-6-15(10)8-12-7-11(9-16)3-4-13(12)17-2/h3-7,16H,8-9H2,1-2H3
InChIKeyQTUCHYGFUSWEGQ-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline
CID 43134621
3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride
CID 170866655
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole
CID 82078786
[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805
ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole
CID 144668203
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one
CID 80583236
[3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol
CID 63051116
1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one
CID 46981248
1-[4-ethoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]ethanone
CID 60724560
1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole
CID 93242506
2-methoxy-4-[(2-methylimidazol-1-yl)methyl]benzenecarboximidamide
CID 106791074
[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221952

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol?
The IUPAC name of [4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol (CID 62018219) is [4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol.
What is the SMILES notation for [4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol?
The canonical SMILES for [4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol is COc1ccc(CO)cc1Cn1ccnc1C.
What is the InChIKey of [4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol?
The InChIKey is QTUCHYGFUSWEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10-14-5-6-15(10)8-12-7-11(9-16)3-4-13(12)17-2/h3-7,16H,8-9H2,1-2H3.
What are the key properties of [4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol?
[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol has a molecular weight of 232.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol is sourced from PubChem (CID 62018219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).