(3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol

C16H22N2O3 — CID 66134131

IUPAC(3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol
SMILESCCOc1ccc(C(O)c2cncn2CC)cc1OCC
InChIInChI=1S/C16H22N2O3/c1-4-18-11-17-10-13(18)16(19)12-7-8-14(20-5-2)15(9-12)21-6-3/h7-11,16,19H,4-6H2,1-3H3
InChIKeyJVZWOWSAGXRIDS-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.78
Rot. Bonds7

About (3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol

(3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol (PubChem CID 66134131) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol
PubChem CID66134131
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol
SMILESCCOc1ccc(C(O)c2cncn2CC)cc1OCC
InChIInChI=1S/C16H22N2O3/c1-4-18-11-17-10-13(18)16(19)12-7-8-14(20-5-2)15(9-12)21-6-3/h7-11,16,19H,4-6H2,1-3H3
InChIKeyJVZWOWSAGXRIDS-UHFFFAOYSA-N
XLogP2.78
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol?
The IUPAC name of (3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol (CID 66134131) is (3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol.
What is the SMILES notation for (3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol?
The canonical SMILES for (3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol is CCOc1ccc(C(O)c2cncn2CC)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol?
The InChIKey is JVZWOWSAGXRIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-18-11-17-10-13(18)16(19)12-7-8-14(20-5-2)15(9-12)21-6-3/h7-11,16,19H,4-6H2,1-3H3.
What are the key properties of (3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol?
(3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol has a molecular weight of 290.36 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol is sourced from PubChem (CID 66134131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).