2,6-dimethyl-4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine

C31H43NO2 — CID 67804662

IUPAC2,6-dimethyl-4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine
SMILESC/C(=C\c1ccc(OCCN2CC(C)OC(C)C2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C31H43NO2/c1-22(26-10-13-28-29(19-26)31(6,7)15-14-30(28,4)5)18-25-8-11-27(12-9-25)33-17-16-32-20-23(2)34-24(3)21-32/h8-13,18-19,23-24H,14-17,20-21H2,1-7H3/b22-18+
InChIKeyMLLKVRZEUUFVTF-RELWKKBWSA-N
MW461.69 g/mol
LogP7.08
Rot. Bonds6

About 2,6-dimethyl-4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine

2,6-dimethyl-4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine (PubChem CID 67804662) has the molecular formula C31H43NO2 and a molecular weight of 461.69 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine
PubChem CID67804662
Molecular FormulaC31H43NO2
Molecular Weight461.69 g/mol
Exact Mass461.33
IUPAC Name2,6-dimethyl-4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine
SMILESC/C(=C\c1ccc(OCCN2CC(C)OC(C)C2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C31H43NO2/c1-22(26-10-13-28-29(19-26)31(6,7)15-14-30(28,4)5)18-25-8-11-27(12-9-25)33-17-16-32-20-23(2)34-24(3)21-32/h8-13,18-19,23-24H,14-17,20-21H2,1-7H3/b22-18+
InChIKeyMLLKVRZEUUFVTF-RELWKKBWSA-N
XLogP7.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.69
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine (CID 67804662) is 2,6-dimethyl-4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine is C/C(=C\c1ccc(OCCN2CC(C)OC(C)C2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 2,6-dimethyl-4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine?
The InChIKey is MLLKVRZEUUFVTF-RELWKKBWSA-N. The full InChI is InChI=1S/C31H43NO2/c1-22(26-10-13-28-29(19-26)31(6,7)15-14-30(28,4)5)18-25-8-11-27(12-9-25)33-17-16-32-20-23(2)34-24(3)21-32/h8-13,18-19,23-24H,14-17,20-21H2,1-7H3/b22-18+.
What are the key properties of 2,6-dimethyl-4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine?
2,6-dimethyl-4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine has a molecular weight of 461.69 g/mol, XLogP of 7.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 67804662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).