2,2-bis(4-methoxyphenyl)-1H-indol-3-one

C22H19NO3 — CID 138738671

IUPAC2,2-bis(4-methoxyphenyl)-1H-indol-3-one
SMILESCOc1ccc(C2(c3ccc(OC)cc3)Nc3ccccc3C2=O)cc1
InChIInChI=1S/C22H19NO3/c1-25-17-11-7-15(8-12-17)22(16-9-13-18(26-2)14-10-16)21(24)19-5-3-4-6-20(19)23-22/h3-14,23H,1-2H3
InChIKeyGFHLRXGDRLBCKS-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.26
Rot. Bonds4

About 2,2-bis(4-methoxyphenyl)-1H-indol-3-one

2,2-bis(4-methoxyphenyl)-1H-indol-3-one (PubChem CID 138738671) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2,2-bis(4-methoxyphenyl)-1H-indol-3-one.

Molecular Properties

Compound Name2,2-bis(4-methoxyphenyl)-1H-indol-3-one
PubChem CID138738671
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name2,2-bis(4-methoxyphenyl)-1H-indol-3-one
SMILESCOc1ccc(C2(c3ccc(OC)cc3)Nc3ccccc3C2=O)cc1
InChIInChI=1S/C22H19NO3/c1-25-17-11-7-15(8-12-17)22(16-9-13-18(26-2)14-10-16)21(24)19-5-3-4-6-20(19)23-22/h3-14,23H,1-2H3
InChIKeyGFHLRXGDRLBCKS-UHFFFAOYSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_C(1)', 'substructure': 'N/A'}

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Related Compounds

(2R)-5'-methoxy-1'-methylspiro[1H-indole-2,3'-indole]-2',3-dione
CID 132531797
2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one
CID 154722470
(3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one
CID 102494819
2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one
CID 10732770
2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
CID 10664026
2-(4-methoxyphenyl)-2,4-dimethyl-1H-quinoline
CID 15834051
2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one
CID 10612963
2-(2-bromophenyl)-2-phenyl-1H-indol-3-one
CID 10959434
5-(4-methoxyphenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline
CID 138006007
2-(4-fluoroanilino)-2-(4-methoxyphenyl)indene-1,3-dione
CID 22432792
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
(3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione
CID 175172136

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-methoxyphenyl)-1H-indol-3-one?
The IUPAC name of 2,2-bis(4-methoxyphenyl)-1H-indol-3-one (CID 138738671) is 2,2-bis(4-methoxyphenyl)-1H-indol-3-one.
What is the SMILES notation for 2,2-bis(4-methoxyphenyl)-1H-indol-3-one?
The canonical SMILES for 2,2-bis(4-methoxyphenyl)-1H-indol-3-one is COc1ccc(C2(c3ccc(OC)cc3)Nc3ccccc3C2=O)cc1.
What is the InChIKey of 2,2-bis(4-methoxyphenyl)-1H-indol-3-one?
The InChIKey is GFHLRXGDRLBCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-25-17-11-7-15(8-12-17)22(16-9-13-18(26-2)14-10-16)21(24)19-5-3-4-6-20(19)23-22/h3-14,23H,1-2H3.
What are the key properties of 2,2-bis(4-methoxyphenyl)-1H-indol-3-one?
2,2-bis(4-methoxyphenyl)-1H-indol-3-one has a molecular weight of 345.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-methoxyphenyl)-1H-indol-3-one is sourced from PubChem (CID 138738671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).