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

C25H21NO3Se — CID 57381170

IUPAC4-(4-methoxyphenyl)-1'-methyl-3-phenylselanylspiro[2H-furan-5,3'-indole]-2'-one
SMILESCOc1ccc(C2=C([Se]c3ccccc3)COC23C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C25H21NO3Se/c1-26-21-11-7-6-10-20(21)25(24(26)27)23(17-12-14-18(28-2)15-13-17)22(16-29-25)30-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3
InChIKeyPHHGBFIJQBKZKZ-UHFFFAOYSA-N
MW462.41 g/mol
LogP3.34
Rot. Bonds4

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

4-(4-methoxyphenyl)-1'-methyl-3-phenylselanylspiro[2H-furan-5,3'-indole]-2'-one (PubChem CID 57381170) has the molecular formula C25H21NO3Se and a molecular weight of 462.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1'-methyl-3-phenylselanylspiro[2H-furan-5,3'-indole]-2'-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1'-methyl-3-phenylselanylspiro[2H-furan-5,3'-indole]-2'-one
PubChem CID57381170
Molecular FormulaC25H21NO3Se
Molecular Weight462.41 g/mol
Exact Mass463.07
IUPAC Name4-(4-methoxyphenyl)-1'-methyl-3-phenylselanylspiro[2H-furan-5,3'-indole]-2'-one
SMILESCOc1ccc(C2=C([Se]c3ccccc3)COC23C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C25H21NO3Se/c1-26-21-11-7-6-10-20(21)25(24(26)27)23(17-12-14-18(28-2)15-13-17)22(16-29-25)30-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3
InChIKeyPHHGBFIJQBKZKZ-UHFFFAOYSA-N
XLogP3.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1'-methyl-4-(4-methylbenzoyl)-3-phenylspiro[2H-furan-5,3'-indole]-2'-one
CID 102219876
(3S)-1,3-dimethyl-3-(phenylselanylmethyl)indol-2-one
CID 164682274
3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one
CID 177493075
1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione
CID 177386662
1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 16584750
(3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one
CID 132608894
(4R)-2-amino-1-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
CID 29135063
(2R,6S)-2-[(4-methoxyphenoxy)methyl]-1',4-dimethylspiro[2,5-dihydropyran-6,3'-indole]-2'-one
CID 73440849
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
N-[[(3R)-1,3-dimethyl-2-oxoindol-3-yl]methyl]-4-methoxybenzamide
CID 139187913
1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one
CID 132527977
(2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 95881455

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1'-methyl-3-phenylselanylspiro[2H-furan-5,3'-indole]-2'-one?
The IUPAC name of 4-(4-methoxyphenyl)-1'-methyl-3-phenylselanylspiro[2H-furan-5,3'-indole]-2'-one (CID 57381170) is 4-(4-methoxyphenyl)-1'-methyl-3-phenylselanylspiro[2H-furan-5,3'-indole]-2'-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-1'-methyl-3-phenylselanylspiro[2H-furan-5,3'-indole]-2'-one?
The canonical SMILES for 4-(4-methoxyphenyl)-1'-methyl-3-phenylselanylspiro[2H-furan-5,3'-indole]-2'-one is COc1ccc(C2=C([Se]c3ccccc3)COC23C(=O)N(C)c2ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1'-methyl-3-phenylselanylspiro[2H-furan-5,3'-indole]-2'-one?
The InChIKey is PHHGBFIJQBKZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3Se/c1-26-21-11-7-6-10-20(21)25(24(26)27)23(17-12-14-18(28-2)15-13-17)22(16-29-25)30-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1'-methyl-3-phenylselanylspiro[2H-furan-5,3'-indole]-2'-one?
4-(4-methoxyphenyl)-1'-methyl-3-phenylselanylspiro[2H-furan-5,3'-indole]-2'-one has a molecular weight of 462.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1'-methyl-3-phenylselanylspiro[2H-furan-5,3'-indole]-2'-one is sourced from PubChem (CID 57381170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).