2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one

C27H23F2NO3 — CID 51002326

IUPAC2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one
SMILESO=C1C(c2ccc(F)c(F)c2)=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc21
InChIInChI=1S/C27H23F2NO3/c28-23-9-6-19(16-24(23)29)26-25(18-4-2-1-3-5-18)21-8-7-20(17-22(21)27(26)31)33-15-12-30-10-13-32-14-11-30/h1-9,16-17H,10-15H2
InChIKeyJJEKQXSMKTZXIQ-UHFFFAOYSA-N
MW447.48 g/mol
LogP4.83
Rot. Bonds6

About 2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one

2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one (PubChem CID 51002326) has the molecular formula C27H23F2NO3 and a molecular weight of 447.48 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one
PubChem CID51002326
Molecular FormulaC27H23F2NO3
Molecular Weight447.48 g/mol
Exact Mass447.16
IUPAC Name2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one
SMILESO=C1C(c2ccc(F)c(F)c2)=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc21
InChIInChI=1S/C27H23F2NO3/c28-23-9-6-19(16-24(23)29)26-25(18-4-2-1-3-5-18)21-8-7-20(17-22(21)27(26)31)33-15-12-30-10-13-32-14-11-30/h1-9,16-17H,10-15H2
InChIKeyJJEKQXSMKTZXIQ-UHFFFAOYSA-N
XLogP4.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one
CID 51002367
5-(2-morpholin-4-ylethoxy)-3-phenyl-2-pyridin-4-ylinden-1-one
CID 51002189
6-(2-morpholin-4-ylethoxy)-3-phenyl-2-quinolin-3-ylinden-1-one
CID 51002188
2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one
CID 51002094
3-(4-chlorophenyl)-2-(3,4-difluorophenyl)-6-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]inden-1-one
CID 51001832
5-(2-morpholin-4-ylethoxy)-3-phenyl-2-pyridin-3-ylinden-1-one
CID 51002145
ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate
CID 68697506
2-(3,4-difluorophenyl)-6-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]-3-[4-(trifluoromethyl)phenyl]inden-1-one
CID 51002537
5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide
CID 141124358
2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one
CID 10341464
2-methoxycarbonyl-N-methyl-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-imine oxide
CID 11524635
4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one?
The IUPAC name of 2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one (CID 51002326) is 2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one.
What is the SMILES notation for 2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one?
The canonical SMILES for 2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one is O=C1C(c2ccc(F)c(F)c2)=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc21.
What is the InChIKey of 2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one?
The InChIKey is JJEKQXSMKTZXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2NO3/c28-23-9-6-19(16-24(23)29)26-25(18-4-2-1-3-5-18)21-8-7-20(17-22(21)27(26)31)33-15-12-30-10-13-32-14-11-30/h1-9,16-17H,10-15H2.
What are the key properties of 2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one?
2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one has a molecular weight of 447.48 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one is sourced from PubChem (CID 51002326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).