4-[3-(2-methoxyethoxy)-5-methylcyclohexa-1,3-dien-1-yl]morpholine

C14H23NO3 — CID 71067394

IUPAC4-[3-(2-methoxyethoxy)-5-methylcyclohexa-1,3-dien-1-yl]morpholine
SMILESCOCCOC1=CC(C)CC(N2CCOCC2)=C1
InChIInChI=1S/C14H23NO3/c1-12-9-13(15-3-5-17-6-4-15)11-14(10-12)18-8-7-16-2/h10-12H,3-9H2,1-2H3
InChIKeyGNQXHNKHLIETNK-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.79
Rot. Bonds5

About 4-[3-(2-methoxyethoxy)-5-methylcyclohexa-1,3-dien-1-yl]morpholine

4-[3-(2-methoxyethoxy)-5-methylcyclohexa-1,3-dien-1-yl]morpholine (PubChem CID 71067394) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[3-(2-methoxyethoxy)-5-methylcyclohexa-1,3-dien-1-yl]morpholine.

Molecular Properties

Compound Name4-[3-(2-methoxyethoxy)-5-methylcyclohexa-1,3-dien-1-yl]morpholine
PubChem CID71067394
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-[3-(2-methoxyethoxy)-5-methylcyclohexa-1,3-dien-1-yl]morpholine
SMILESCOCCOC1=CC(C)CC(N2CCOCC2)=C1
InChIInChI=1S/C14H23NO3/c1-12-9-13(15-3-5-17-6-4-15)11-14(10-12)18-8-7-16-2/h10-12H,3-9H2,1-2H3
InChIKeyGNQXHNKHLIETNK-UHFFFAOYSA-N
XLogP1.79
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.79
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-[3-(2-methoxyethoxy)-5-methylcyclohexa-1,3-dien-1-yl]morpholine?
The IUPAC name of 4-[3-(2-methoxyethoxy)-5-methylcyclohexa-1,3-dien-1-yl]morpholine (CID 71067394) is 4-[3-(2-methoxyethoxy)-5-methylcyclohexa-1,3-dien-1-yl]morpholine.
What is the SMILES notation for 4-[3-(2-methoxyethoxy)-5-methylcyclohexa-1,3-dien-1-yl]morpholine?
The canonical SMILES for 4-[3-(2-methoxyethoxy)-5-methylcyclohexa-1,3-dien-1-yl]morpholine is COCCOC1=CC(C)CC(N2CCOCC2)=C1.
What is the InChIKey of 4-[3-(2-methoxyethoxy)-5-methylcyclohexa-1,3-dien-1-yl]morpholine?
The InChIKey is GNQXHNKHLIETNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-12-9-13(15-3-5-17-6-4-15)11-14(10-12)18-8-7-16-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 4-[3-(2-methoxyethoxy)-5-methylcyclohexa-1,3-dien-1-yl]morpholine?
4-[3-(2-methoxyethoxy)-5-methylcyclohexa-1,3-dien-1-yl]morpholine has a molecular weight of 253.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethoxy)-5-methylcyclohexa-1,3-dien-1-yl]morpholine is sourced from PubChem (CID 71067394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).