1'-methyl-4-(4-methylbenzoyl)-3-phenylspiro[2H-furan-5,3'-indole]-2'-one

C26H21NO3 — CID 102219876

IUPAC1'-methyl-4-(4-methylbenzoyl)-3-phenylspiro[2H-furan-5,3'-indole]-2'-one
SMILESCc1ccc(C(=O)C2=C(c3ccccc3)COC23C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C26H21NO3/c1-17-12-14-19(15-13-17)24(28)23-20(18-8-4-3-5-9-18)16-30-26(23)21-10-6-7-11-22(21)27(2)25(26)29/h3-15H,16H2,1-2H3
InChIKeyFKUMXTSAEPHMMC-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.53
Rot. Bonds3

About 1'-methyl-4-(4-methylbenzoyl)-3-phenylspiro[2H-furan-5,3'-indole]-2'-one

1'-methyl-4-(4-methylbenzoyl)-3-phenylspiro[2H-furan-5,3'-indole]-2'-one (PubChem CID 102219876) has the molecular formula C26H21NO3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1'-methyl-4-(4-methylbenzoyl)-3-phenylspiro[2H-furan-5,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-methyl-4-(4-methylbenzoyl)-3-phenylspiro[2H-furan-5,3'-indole]-2'-one
PubChem CID102219876
Molecular FormulaC26H21NO3
Molecular Weight395.46 g/mol
Exact Mass395.15
IUPAC Name1'-methyl-4-(4-methylbenzoyl)-3-phenylspiro[2H-furan-5,3'-indole]-2'-one
SMILESCc1ccc(C(=O)C2=C(c3ccccc3)COC23C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C26H21NO3/c1-17-12-14-19(15-13-17)24(28)23-20(18-8-4-3-5-9-18)16-30-26(23)21-10-6-7-11-22(21)27(2)25(26)29/h3-15H,16H2,1-2H3
InChIKeyFKUMXTSAEPHMMC-UHFFFAOYSA-N
XLogP4.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 95103905
4-(4-methoxyphenyl)-1'-methyl-3-phenylselanylspiro[2H-furan-5,3'-indole]-2'-one
CID 57381170
1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione
CID 177386662
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one
CID 101072475
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 806504
9b-hydroxy-5-methyl-4-oxo-[1,3]dioxolo[4,5-c]quinoline-3a-carboxamide
CID 141325455
(2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 41387372
[2-(9,9-dimethylacridin-10-yl)phenyl]-(4-phenylphenyl)methanone
CID 71007112
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
(2'Z)-2'-benzylidene-1-methylspiro[indole-3,5'-oxolane]-2,3'-dione
CID 66573824

Frequently Asked Questions

What is the IUPAC name of 1'-methyl-4-(4-methylbenzoyl)-3-phenylspiro[2H-furan-5,3'-indole]-2'-one?
The IUPAC name of 1'-methyl-4-(4-methylbenzoyl)-3-phenylspiro[2H-furan-5,3'-indole]-2'-one (CID 102219876) is 1'-methyl-4-(4-methylbenzoyl)-3-phenylspiro[2H-furan-5,3'-indole]-2'-one.
What is the SMILES notation for 1'-methyl-4-(4-methylbenzoyl)-3-phenylspiro[2H-furan-5,3'-indole]-2'-one?
The canonical SMILES for 1'-methyl-4-(4-methylbenzoyl)-3-phenylspiro[2H-furan-5,3'-indole]-2'-one is Cc1ccc(C(=O)C2=C(c3ccccc3)COC23C(=O)N(C)c2ccccc23)cc1.
What is the InChIKey of 1'-methyl-4-(4-methylbenzoyl)-3-phenylspiro[2H-furan-5,3'-indole]-2'-one?
The InChIKey is FKUMXTSAEPHMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO3/c1-17-12-14-19(15-13-17)24(28)23-20(18-8-4-3-5-9-18)16-30-26(23)21-10-6-7-11-22(21)27(2)25(26)29/h3-15H,16H2,1-2H3.
What are the key properties of 1'-methyl-4-(4-methylbenzoyl)-3-phenylspiro[2H-furan-5,3'-indole]-2'-one?
1'-methyl-4-(4-methylbenzoyl)-3-phenylspiro[2H-furan-5,3'-indole]-2'-one has a molecular weight of 395.46 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-4-(4-methylbenzoyl)-3-phenylspiro[2H-furan-5,3'-indole]-2'-one is sourced from PubChem (CID 102219876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).