2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one

C23H19NO3 — CID 154722470

IUPAC2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one
SMILESCOc1ccc(C2(CC(=O)c3ccccc3)Nc3ccccc3C2=O)cc1
InChIInChI=1S/C23H19NO3/c1-27-18-13-11-17(12-14-18)23(15-21(25)16-7-3-2-4-8-16)22(26)19-9-5-6-10-20(19)24-23/h2-14,24H,15H2,1H3
InChIKeyKHORVIUCNDHODL-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.47
Rot. Bonds5

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

2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one (PubChem CID 154722470) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one
PubChem CID154722470
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one
SMILESCOc1ccc(C2(CC(=O)c3ccccc3)Nc3ccccc3C2=O)cc1
InChIInChI=1S/C23H19NO3/c1-27-18-13-11-17(12-14-18)23(15-21(25)16-7-3-2-4-8-16)22(26)19-9-5-6-10-20(19)24-23/h2-14,24H,15H2,1H3
InChIKeyKHORVIUCNDHODL-UHFFFAOYSA-N
XLogP4.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.47
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

ethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate
CID 122364960
2,2-bis(4-methoxyphenyl)-1H-indol-3-one
CID 138738671
2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione
CID 640533
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
CID 7595526
2-hexyl-2-phenyl-1H-indol-3-one
CID 132839339
2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
CID 10664026
2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one
CID 10612963
2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one
CID 10732770
3-(4-methoxyphenyl)-3-[5-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]-1H-pyrrol-2-yl]-1-phenylpropan-1-one
CID 102404117
(3Z)-3-[2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-oxoethylidene]-1H-indol-2-one
CID 177392701
anisole;1-phenylpropan-1-one;propan-2-one
CID 174786879
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-N-(4-methoxyphenyl)propanamide
CID 110677281

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one?
The IUPAC name of 2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one (CID 154722470) is 2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one?
The canonical SMILES for 2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one is COc1ccc(C2(CC(=O)c3ccccc3)Nc3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one?
The InChIKey is KHORVIUCNDHODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-27-18-13-11-17(12-14-18)23(15-21(25)16-7-3-2-4-8-16)22(26)19-9-5-6-10-20(19)24-23/h2-14,24H,15H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one?
2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one has a molecular weight of 357.41 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one is sourced from PubChem (CID 154722470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).