(3,4-dimethoxyphenyl)-(3-methylimidazol-4-yl)methanol

C13H16N2O3 — CID 66116292

IUPAC(3,4-dimethoxyphenyl)-(3-methylimidazol-4-yl)methanol
SMILESCOc1ccc(C(O)c2cncn2C)cc1OC
InChIInChI=1S/C13H16N2O3/c1-15-8-14-7-10(15)13(16)9-4-5-11(17-2)12(6-9)18-3/h4-8,13,16H,1-3H3
InChIKeyFFTNWFGSQZJDHY-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.52
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(3-methylimidazol-4-yl)methanol

(3,4-dimethoxyphenyl)-(3-methylimidazol-4-yl)methanol (PubChem CID 66116292) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(3-methylimidazol-4-yl)methanol
PubChem CID66116292
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(3,4-dimethoxyphenyl)-(3-methylimidazol-4-yl)methanol
SMILESCOc1ccc(C(O)c2cncn2C)cc1OC
InChIInChI=1S/C13H16N2O3/c1-15-8-14-7-10(15)13(16)9-4-5-11(17-2)12(6-9)18-3/h4-8,13,16H,1-3H3
InChIKeyFFTNWFGSQZJDHY-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

(3-methylimidazol-4-yl)-naphthalen-2-ylmethanol
CID 66116281
(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol
CID 66118611
(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684701
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
(3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 66118408
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methanol
CID 66116496
(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methanol
CID 66116920
(3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol
CID 66134131
4-[hydroxy-(3-methylimidazol-4-yl)methyl]-2-(4-methylphenyl)benzonitrile
CID 70135010
(4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol
CID 114684884
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of (3,4-dimethoxyphenyl)-(3-methylimidazol-4-yl)methanol (CID 66116292) is (3,4-dimethoxyphenyl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for (3,4-dimethoxyphenyl)-(3-methylimidazol-4-yl)methanol is COc1ccc(C(O)c2cncn2C)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is FFTNWFGSQZJDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15-8-14-7-10(15)13(16)9-4-5-11(17-2)12(6-9)18-3/h4-8,13,16H,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(3-methylimidazol-4-yl)methanol?
(3,4-dimethoxyphenyl)-(3-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 (3,4-dimethoxyphenyl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 66116292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).