[2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol

C14H18N2O3 — CID 62735495

IUPAC[2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol
SMILESCCn1ccnc1COc1c(CO)cccc1OC
InChIInChI=1S/C14H18N2O3/c1-3-16-8-7-15-13(16)10-19-14-11(9-17)5-4-6-12(14)18-2/h4-8,17H,3,9-10H2,1-2H3
InChIKeyUMROVSNUOZSZJW-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.98
Rot. Bonds6

About [2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol

[2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol (PubChem CID 62735495) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol
PubChem CID62735495
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol
SMILESCCn1ccnc1COc1c(CO)cccc1OC
InChIInChI=1S/C14H18N2O3/c1-3-16-8-7-15-13(16)10-19-14-11(9-17)5-4-6-12(14)18-2/h4-8,17H,3,9-10H2,1-2H3
InChIKeyUMROVSNUOZSZJW-UHFFFAOYSA-N
XLogP1.98
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol?
The IUPAC name of [2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol (CID 62735495) is [2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol.
What is the SMILES notation for [2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol?
The canonical SMILES for [2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol is CCn1ccnc1COc1c(CO)cccc1OC.
What is the InChIKey of [2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol?
The InChIKey is UMROVSNUOZSZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-16-8-7-15-13(16)10-19-14-11(9-17)5-4-6-12(14)18-2/h4-8,17H,3,9-10H2,1-2H3.
What are the key properties of [2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol?
[2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol has a molecular weight of 262.31 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol is sourced from PubChem (CID 62735495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).