4-[2-[2-(1H-imidazol-2-yl)-6-methoxyphenoxy]ethyl]morpholine

C16H21N3O3 — CID 56717664

IUPAC4-[2-[2-(1H-imidazol-2-yl)-6-methoxyphenoxy]ethyl]morpholine
SMILESCOc1cccc(-c2ncc[nH]2)c1OCCN1CCOCC1
InChIInChI=1S/C16H21N3O3/c1-20-14-4-2-3-13(16-17-5-6-18-16)15(14)22-12-9-19-7-10-21-11-8-19/h2-6H,7-12H2,1H3,(H,17,18)
InChIKeyPGEWMZKHQUHWMX-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.80
Rot. Bonds6

About 4-[2-[2-(1H-imidazol-2-yl)-6-methoxyphenoxy]ethyl]morpholine

4-[2-[2-(1H-imidazol-2-yl)-6-methoxyphenoxy]ethyl]morpholine (PubChem CID 56717664) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-[2-[2-(1H-imidazol-2-yl)-6-methoxyphenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(1H-imidazol-2-yl)-6-methoxyphenoxy]ethyl]morpholine
PubChem CID56717664
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4-[2-[2-(1H-imidazol-2-yl)-6-methoxyphenoxy]ethyl]morpholine
SMILESCOc1cccc(-c2ncc[nH]2)c1OCCN1CCOCC1
InChIInChI=1S/C16H21N3O3/c1-20-14-4-2-3-13(16-17-5-6-18-16)15(14)22-12-9-19-7-10-21-11-8-19/h2-6H,7-12H2,1H3,(H,17,18)
InChIKeyPGEWMZKHQUHWMX-UHFFFAOYSA-N
XLogP1.80
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(1H-imidazol-2-yl)-6-methoxyphenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[2-(1H-imidazol-2-yl)-6-methoxyphenoxy]ethyl]morpholine (CID 56717664) is 4-[2-[2-(1H-imidazol-2-yl)-6-methoxyphenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(1H-imidazol-2-yl)-6-methoxyphenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(1H-imidazol-2-yl)-6-methoxyphenoxy]ethyl]morpholine is COc1cccc(-c2ncc[nH]2)c1OCCN1CCOCC1.
What is the InChIKey of 4-[2-[2-(1H-imidazol-2-yl)-6-methoxyphenoxy]ethyl]morpholine?
The InChIKey is PGEWMZKHQUHWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-20-14-4-2-3-13(16-17-5-6-18-16)15(14)22-12-9-19-7-10-21-11-8-19/h2-6H,7-12H2,1H3,(H,17,18).
What are the key properties of 4-[2-[2-(1H-imidazol-2-yl)-6-methoxyphenoxy]ethyl]morpholine?
4-[2-[2-(1H-imidazol-2-yl)-6-methoxyphenoxy]ethyl]morpholine has a molecular weight of 303.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(1H-imidazol-2-yl)-6-methoxyphenoxy]ethyl]morpholine is sourced from PubChem (CID 56717664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).