(2,3-dimethoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol

C16H22N2O3 — CID 2849864

IUPAC(2,3-dimethoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol
SMILESCCCc1ncc(C(O)c2cccc(OC)c2OC)n1C
InChIInChI=1S/C16H22N2O3/c1-5-7-14-17-10-12(18(14)2)15(19)11-8-6-9-13(20-3)16(11)21-4/h6,8-10,15,19H,5,7H2,1-4H3
InChIKeyPWPBONJXMIADOE-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.47
Rot. Bonds6

About (2,3-dimethoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol

(2,3-dimethoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol (PubChem CID 2849864) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol
PubChem CID2849864
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2,3-dimethoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol
SMILESCCCc1ncc(C(O)c2cccc(OC)c2OC)n1C
InChIInChI=1S/C16H22N2O3/c1-5-7-14-17-10-12(18(14)2)15(19)11-8-6-9-13(20-3)16(11)21-4/h6,8-10,15,19H,5,7H2,1-4H3
InChIKeyPWPBONJXMIADOE-UHFFFAOYSA-N
XLogP2.47
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol?
The IUPAC name of (2,3-dimethoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol (CID 2849864) is (2,3-dimethoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol?
The canonical SMILES for (2,3-dimethoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol is CCCc1ncc(C(O)c2cccc(OC)c2OC)n1C.
What is the InChIKey of (2,3-dimethoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol?
The InChIKey is PWPBONJXMIADOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-7-14-17-10-12(18(14)2)15(19)11-8-6-9-13(20-3)16(11)21-4/h6,8-10,15,19H,5,7H2,1-4H3.
What are the key properties of (2,3-dimethoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol?
(2,3-dimethoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol has a molecular weight of 290.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol is sourced from PubChem (CID 2849864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).