4-[6-(3-methoxyphenoxy)hexyl]morpholine

C17H27NO3 — CID 2056435

IUPAC4-[6-(3-methoxyphenoxy)hexyl]morpholine
SMILESCOc1cccc(OCCCCCCN2CCOCC2)c1
InChIInChI=1S/C17H27NO3/c1-19-16-7-6-8-17(15-16)21-12-5-3-2-4-9-18-10-13-20-14-11-18/h6-8,15H,2-5,9-14H2,1H3
InChIKeyBNFJSHGBYXJDOF-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.97
Rot. Bonds9

About 4-[6-(3-methoxyphenoxy)hexyl]morpholine

4-[6-(3-methoxyphenoxy)hexyl]morpholine (PubChem CID 2056435) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[6-(3-methoxyphenoxy)hexyl]morpholine.

Molecular Properties

Compound Name4-[6-(3-methoxyphenoxy)hexyl]morpholine
PubChem CID2056435
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name4-[6-(3-methoxyphenoxy)hexyl]morpholine
SMILESCOc1cccc(OCCCCCCN2CCOCC2)c1
InChIInChI=1S/C17H27NO3/c1-19-16-7-6-8-17(15-16)21-12-5-3-2-4-9-18-10-13-20-14-11-18/h6-8,15H,2-5,9-14H2,1H3
InChIKeyBNFJSHGBYXJDOF-UHFFFAOYSA-N
XLogP2.97
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-methoxyphenoxy)hexyl]morpholine?
The IUPAC name of 4-[6-(3-methoxyphenoxy)hexyl]morpholine (CID 2056435) is 4-[6-(3-methoxyphenoxy)hexyl]morpholine.
What is the SMILES notation for 4-[6-(3-methoxyphenoxy)hexyl]morpholine?
The canonical SMILES for 4-[6-(3-methoxyphenoxy)hexyl]morpholine is COc1cccc(OCCCCCCN2CCOCC2)c1.
What is the InChIKey of 4-[6-(3-methoxyphenoxy)hexyl]morpholine?
The InChIKey is BNFJSHGBYXJDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-19-16-7-6-8-17(15-16)21-12-5-3-2-4-9-18-10-13-20-14-11-18/h6-8,15H,2-5,9-14H2,1H3.
What are the key properties of 4-[6-(3-methoxyphenoxy)hexyl]morpholine?
4-[6-(3-methoxyphenoxy)hexyl]morpholine has a molecular weight of 293.41 g/mol, XLogP of 2.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-methoxyphenoxy)hexyl]morpholine is sourced from PubChem (CID 2056435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).