4-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine

C23H29NO — CID 25101035

IUPAC4-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine
SMILESCc1cccc(C)c1/C=C\c1cccc(CCCN2CCOCC2)c1
InChIInChI=1S/C23H29NO/c1-19-6-3-7-20(2)23(19)12-11-22-9-4-8-21(18-22)10-5-13-24-14-16-25-17-15-24/h3-4,6-9,11-12,18H,5,10,13-17H2,1-2H3/b12-11-
InChIKeyIWPIWJMSAYHJPN-QXMHVHEDSA-N
MW335.49 g/mol
LogP4.74
Rot. Bonds6

About 4-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine

4-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine (PubChem CID 25101035) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 4-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine
PubChem CID25101035
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name4-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine
SMILESCc1cccc(C)c1/C=C\c1cccc(CCCN2CCOCC2)c1
InChIInChI=1S/C23H29NO/c1-19-6-3-7-20(2)23(19)12-11-22-9-4-8-21(18-22)10-5-13-24-14-16-25-17-15-24/h3-4,6-9,11-12,18H,5,10,13-17H2,1-2H3/b12-11-
InChIKeyIWPIWJMSAYHJPN-QXMHVHEDSA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine (CID 25101035) is 4-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine is Cc1cccc(C)c1/C=C\c1cccc(CCCN2CCOCC2)c1.
What is the InChIKey of 4-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine?
The InChIKey is IWPIWJMSAYHJPN-QXMHVHEDSA-N. The full InChI is InChI=1S/C23H29NO/c1-19-6-3-7-20(2)23(19)12-11-22-9-4-8-21(18-22)10-5-13-24-14-16-25-17-15-24/h3-4,6-9,11-12,18H,5,10,13-17H2,1-2H3/b12-11-.
What are the key properties of 4-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine?
4-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine has a molecular weight of 335.49 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]morpholine is sourced from PubChem (CID 25101035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).