1'-[2-[(4-fluorophenyl)methoxy]propyl]-5-methyl-4-[(2-methylideneoxolan-3-ylidene)methyl]spiro[2H-furan-3,3'-indole]-2'-one

C28H28FNO4 — CID 91366898

IUPAC1'-[2-[(4-fluorophenyl)methoxy]propyl]-5-methyl-4-[(2-methylideneoxolan-3-ylidene)methyl]spiro[2H-furan-3,3'-indole]-2'-one
SMILESC=C1OCCC1=CC1=C(C)OCC12C(=O)N(CC(C)OCc1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C28H28FNO4/c1-18(33-16-21-8-10-23(29)11-9-21)15-30-26-7-5-4-6-24(26)28(27(30)31)17-34-20(3)25(28)14-22-12-13-32-19(22)2/h4-11,14,18H,2,12-13,15-17H2,1,3H3
InChIKeyNGGSFYSJXCDSOP-UHFFFAOYSA-N
MW461.53 g/mol
LogP5.18
Rot. Bonds6

About 1'-[2-[(4-fluorophenyl)methoxy]propyl]-5-methyl-4-[(2-methylideneoxolan-3-ylidene)methyl]spiro[2H-furan-3,3'-indole]-2'-one

1'-[2-[(4-fluorophenyl)methoxy]propyl]-5-methyl-4-[(2-methylideneoxolan-3-ylidene)methyl]spiro[2H-furan-3,3'-indole]-2'-one (PubChem CID 91366898) has the molecular formula C28H28FNO4 and a molecular weight of 461.53 g/mol. Its IUPAC name is 1'-[2-[(4-fluorophenyl)methoxy]propyl]-5-methyl-4-[(2-methylideneoxolan-3-ylidene)methyl]spiro[2H-furan-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[2-[(4-fluorophenyl)methoxy]propyl]-5-methyl-4-[(2-methylideneoxolan-3-ylidene)methyl]spiro[2H-furan-3,3'-indole]-2'-one
PubChem CID91366898
Molecular FormulaC28H28FNO4
Molecular Weight461.53 g/mol
Exact Mass461.20
IUPAC Name1'-[2-[(4-fluorophenyl)methoxy]propyl]-5-methyl-4-[(2-methylideneoxolan-3-ylidene)methyl]spiro[2H-furan-3,3'-indole]-2'-one
SMILESC=C1OCCC1=CC1=C(C)OCC12C(=O)N(CC(C)OCc1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C28H28FNO4/c1-18(33-16-21-8-10-23(29)11-9-21)15-30-26-7-5-4-6-24(26)28(27(30)31)17-34-20(3)25(28)14-22-12-13-32-19(22)2/h4-11,14,18H,2,12-13,15-17H2,1,3H3
InChIKeyNGGSFYSJXCDSOP-UHFFFAOYSA-N
XLogP5.18
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-[2-[(4-fluorophenyl)methoxy]propyl]-5-methyl-4-[(2-methylideneoxolan-3-ylidene)methyl]spiro[2H-furan-3,3'-indole]-2'-one with MolForge

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Related Compounds

5,6-difluoro-1'-pentylspiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 11998468
1',5-dimethyl-5-phenylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 570810
Cmld-BU5703
CID 49858543
(2R,7R)-1'-[(4-fluorophenyl)methyl]-2,5-dimethylspiro[3,6-dihydro-2H-oxepine-7,3'-indole]-2'-one
CID 49858872
(6R,7R)-6-methyl-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[3,6-dihydro-2H-oxepine-7,3'-indole]-2'-one
CID 49859257
(2S,6R)-4-methyl-1'-(3-methylbut-2-enyl)-2-(phenylmethoxymethyl)spiro[2,5-dihydropyran-6,3'-indole]-2'-one
CID 49859419
(2S)-1'-benzyl-7'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione
CID 73211985
(3S)-5-fluoro-3-methoxy-1-methyl-3-phenylindol-2-one
CID 102389183
5-Fluoro-3-methoxy-1-methyl-3-phenylindol-2-one
CID 102476003
(3S)-3-[methoxy(phenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one
CID 134842097
CID 134957607
CID 134957607
(2'R,3S,5'S)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one;dichloromethane
CID 139193542

Frequently Asked Questions

What is the IUPAC name of 1'-[2-[(4-fluorophenyl)methoxy]propyl]-5-methyl-4-[(2-methylideneoxolan-3-ylidene)methyl]spiro[2H-furan-3,3'-indole]-2'-one?
The IUPAC name of 1'-[2-[(4-fluorophenyl)methoxy]propyl]-5-methyl-4-[(2-methylideneoxolan-3-ylidene)methyl]spiro[2H-furan-3,3'-indole]-2'-one (CID 91366898) is 1'-[2-[(4-fluorophenyl)methoxy]propyl]-5-methyl-4-[(2-methylideneoxolan-3-ylidene)methyl]spiro[2H-furan-3,3'-indole]-2'-one.
What is the SMILES notation for 1'-[2-[(4-fluorophenyl)methoxy]propyl]-5-methyl-4-[(2-methylideneoxolan-3-ylidene)methyl]spiro[2H-furan-3,3'-indole]-2'-one?
The canonical SMILES for 1'-[2-[(4-fluorophenyl)methoxy]propyl]-5-methyl-4-[(2-methylideneoxolan-3-ylidene)methyl]spiro[2H-furan-3,3'-indole]-2'-one is C=C1OCCC1=CC1=C(C)OCC12C(=O)N(CC(C)OCc1ccc(F)cc1)c1ccccc12.
What is the InChIKey of 1'-[2-[(4-fluorophenyl)methoxy]propyl]-5-methyl-4-[(2-methylideneoxolan-3-ylidene)methyl]spiro[2H-furan-3,3'-indole]-2'-one?
The InChIKey is NGGSFYSJXCDSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FNO4/c1-18(33-16-21-8-10-23(29)11-9-21)15-30-26-7-5-4-6-24(26)28(27(30)31)17-34-20(3)25(28)14-22-12-13-32-19(22)2/h4-11,14,18H,2,12-13,15-17H2,1,3H3.
What are the key properties of 1'-[2-[(4-fluorophenyl)methoxy]propyl]-5-methyl-4-[(2-methylideneoxolan-3-ylidene)methyl]spiro[2H-furan-3,3'-indole]-2'-one?
1'-[2-[(4-fluorophenyl)methoxy]propyl]-5-methyl-4-[(2-methylideneoxolan-3-ylidene)methyl]spiro[2H-furan-3,3'-indole]-2'-one has a molecular weight of 461.53 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-[(4-fluorophenyl)methoxy]propyl]-5-methyl-4-[(2-methylideneoxolan-3-ylidene)methyl]spiro[2H-furan-3,3'-indole]-2'-one is sourced from PubChem (CID 91366898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).