4-[3-[(4-methoxy-3,7-dihydro-2H-inden-5-yl)oxy]propyl]morpholine

C17H25NO3 — CID 141081188

IUPAC4-[3-[(4-methoxy-3,7-dihydro-2H-inden-5-yl)oxy]propyl]morpholine
SMILESCOC1=C2CCC=C2CC=C1OCCCN1CCOCC1
InChIInChI=1S/C17H25NO3/c1-19-17-15-5-2-4-14(15)6-7-16(17)21-11-3-8-18-9-12-20-13-10-18/h4,7H,2-3,5-6,8-13H2,1H3
InChIKeyHMHHYFQRFWQHKG-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.63
Rot. Bonds6

About 4-[3-[(4-methoxy-3,7-dihydro-2H-inden-5-yl)oxy]propyl]morpholine

4-[3-[(4-methoxy-3,7-dihydro-2H-inden-5-yl)oxy]propyl]morpholine (PubChem CID 141081188) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[3-[(4-methoxy-3,7-dihydro-2H-inden-5-yl)oxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[(4-methoxy-3,7-dihydro-2H-inden-5-yl)oxy]propyl]morpholine
PubChem CID141081188
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-[3-[(4-methoxy-3,7-dihydro-2H-inden-5-yl)oxy]propyl]morpholine
SMILESCOC1=C2CCC=C2CC=C1OCCCN1CCOCC1
InChIInChI=1S/C17H25NO3/c1-19-17-15-5-2-4-14(15)6-7-16(17)21-11-3-8-18-9-12-20-13-10-18/h4,7H,2-3,5-6,8-13H2,1H3
InChIKeyHMHHYFQRFWQHKG-UHFFFAOYSA-N
XLogP2.63
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.63
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-[(4-methoxy-3,7-dihydro-2H-inden-5-yl)oxy]propyl]morpholine?
The IUPAC name of 4-[3-[(4-methoxy-3,7-dihydro-2H-inden-5-yl)oxy]propyl]morpholine (CID 141081188) is 4-[3-[(4-methoxy-3,7-dihydro-2H-inden-5-yl)oxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[(4-methoxy-3,7-dihydro-2H-inden-5-yl)oxy]propyl]morpholine?
The canonical SMILES for 4-[3-[(4-methoxy-3,7-dihydro-2H-inden-5-yl)oxy]propyl]morpholine is COC1=C2CCC=C2CC=C1OCCCN1CCOCC1.
What is the InChIKey of 4-[3-[(4-methoxy-3,7-dihydro-2H-inden-5-yl)oxy]propyl]morpholine?
The InChIKey is HMHHYFQRFWQHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-17-15-5-2-4-14(15)6-7-16(17)21-11-3-8-18-9-12-20-13-10-18/h4,7H,2-3,5-6,8-13H2,1H3.
What are the key properties of 4-[3-[(4-methoxy-3,7-dihydro-2H-inden-5-yl)oxy]propyl]morpholine?
4-[3-[(4-methoxy-3,7-dihydro-2H-inden-5-yl)oxy]propyl]morpholine has a molecular weight of 291.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-methoxy-3,7-dihydro-2H-inden-5-yl)oxy]propyl]morpholine is sourced from PubChem (CID 141081188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).