4-[(E)-2-[6-(3-fluoro-4-methoxyphenyl)-6-(3-fluoro-4-methylphenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyran-2-yl]ethenyl]morpholine

C32H33F2NO3 — CID 143515945

IUPAC4-[(E)-2-[6-(3-fluoro-4-methoxyphenyl)-6-(3-fluoro-4-methylphenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyran-2-yl]ethenyl]morpholine
SMILESC=C/C=C(\C=C/C)C1=C(/C=C/N2CCOCC2)OC(c2ccc(C)c(F)c2)(c2ccc(OC)c(F)c2)C=C1
InChIInChI=1S/C32H33F2NO3/c1-5-7-24(8-6-2)27-13-15-32(25-10-9-23(3)28(33)21-25,26-11-12-31(36-4)29(34)22-26)38-30(27)14-16-35-17-19-37-20-18-35/h5-16,21-22H,1,17-20H2,2-4H3/b8-6-,16-14+,24-7+
InChIKeyZZDLBOFXNBLHPL-IXFVOLBASA-N
MW517.62 g/mol
LogP6.90
Rot. Bonds8

About 4-[(E)-2-[6-(3-fluoro-4-methoxyphenyl)-6-(3-fluoro-4-methylphenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyran-2-yl]ethenyl]morpholine

4-[(E)-2-[6-(3-fluoro-4-methoxyphenyl)-6-(3-fluoro-4-methylphenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyran-2-yl]ethenyl]morpholine (PubChem CID 143515945) has the molecular formula C32H33F2NO3 and a molecular weight of 517.62 g/mol. Its IUPAC name is 4-[(E)-2-[6-(3-fluoro-4-methoxyphenyl)-6-(3-fluoro-4-methylphenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyran-2-yl]ethenyl]morpholine.

Molecular Properties

Compound Name4-[(E)-2-[6-(3-fluoro-4-methoxyphenyl)-6-(3-fluoro-4-methylphenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyran-2-yl]ethenyl]morpholine
PubChem CID143515945
Molecular FormulaC32H33F2NO3
Molecular Weight517.62 g/mol
Exact Mass517.24
IUPAC Name4-[(E)-2-[6-(3-fluoro-4-methoxyphenyl)-6-(3-fluoro-4-methylphenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyran-2-yl]ethenyl]morpholine
SMILESC=C/C=C(\C=C/C)C1=C(/C=C/N2CCOCC2)OC(c2ccc(C)c(F)c2)(c2ccc(OC)c(F)c2)C=C1
InChIInChI=1S/C32H33F2NO3/c1-5-7-24(8-6-2)27-13-15-32(25-10-9-23(3)28(33)21-25,26-11-12-31(36-4)29(34)22-26)38-30(27)14-16-35-17-19-37-20-18-35/h5-16,21-22H,1,17-20H2,2-4H3/b8-6-,16-14+,24-7+
InChIKeyZZDLBOFXNBLHPL-IXFVOLBASA-N
XLogP6.90
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.62
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[6-(3-fluoro-4-methoxyphenyl)-6-(3-fluoro-4-methylphenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyran-2-yl]ethenyl]morpholine with MolForge

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Related Compounds

4-[3-(3-fluoro-4-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine
CID 163531869
4-[3,3-bis(3-fluoro-4-methoxyphenyl)benzo[f]chromen-6-yl]thiomorpholine
CID 23228089
4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide
CID 116844569
N-[4-(3-fluoro-4-methoxyphenyl)oxan-4-yl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405629
1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione
CID 82122953
2-fluoro-1-methoxy-4-[(Z)-prop-1-enyl]benzene
CID 89214700
1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid
CID 95484471
3-fluoro-4-methoxyphenol
CID 14661613
4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 126795330
(3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333575
1-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972552
N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide
CID 120762833

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[6-(3-fluoro-4-methoxyphenyl)-6-(3-fluoro-4-methylphenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyran-2-yl]ethenyl]morpholine?
The IUPAC name of 4-[(E)-2-[6-(3-fluoro-4-methoxyphenyl)-6-(3-fluoro-4-methylphenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyran-2-yl]ethenyl]morpholine (CID 143515945) is 4-[(E)-2-[6-(3-fluoro-4-methoxyphenyl)-6-(3-fluoro-4-methylphenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyran-2-yl]ethenyl]morpholine.
What is the SMILES notation for 4-[(E)-2-[6-(3-fluoro-4-methoxyphenyl)-6-(3-fluoro-4-methylphenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyran-2-yl]ethenyl]morpholine?
The canonical SMILES for 4-[(E)-2-[6-(3-fluoro-4-methoxyphenyl)-6-(3-fluoro-4-methylphenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyran-2-yl]ethenyl]morpholine is C=C/C=C(\C=C/C)C1=C(/C=C/N2CCOCC2)OC(c2ccc(C)c(F)c2)(c2ccc(OC)c(F)c2)C=C1.
What is the InChIKey of 4-[(E)-2-[6-(3-fluoro-4-methoxyphenyl)-6-(3-fluoro-4-methylphenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyran-2-yl]ethenyl]morpholine?
The InChIKey is ZZDLBOFXNBLHPL-IXFVOLBASA-N. The full InChI is InChI=1S/C32H33F2NO3/c1-5-7-24(8-6-2)27-13-15-32(25-10-9-23(3)28(33)21-25,26-11-12-31(36-4)29(34)22-26)38-30(27)14-16-35-17-19-37-20-18-35/h5-16,21-22H,1,17-20H2,2-4H3/b8-6-,16-14+,24-7+.
What are the key properties of 4-[(E)-2-[6-(3-fluoro-4-methoxyphenyl)-6-(3-fluoro-4-methylphenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyran-2-yl]ethenyl]morpholine?
4-[(E)-2-[6-(3-fluoro-4-methoxyphenyl)-6-(3-fluoro-4-methylphenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyran-2-yl]ethenyl]morpholine has a molecular weight of 517.62 g/mol, XLogP of 6.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[6-(3-fluoro-4-methoxyphenyl)-6-(3-fluoro-4-methylphenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyran-2-yl]ethenyl]morpholine is sourced from PubChem (CID 143515945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).