2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one

C17H17NO3 — CID 10612963

IUPAC2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one
SMILESCCOc1ccc(C2(OC)Nc3ccccc3C2=O)cc1
InChIInChI=1S/C17H17NO3/c1-3-21-13-10-8-12(9-11-13)17(20-2)16(19)14-6-4-5-7-15(14)18-17/h4-11,18H,3H2,1-2H3
InChIKeyAEYYQQNTPPJLDG-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.19
Rot. Bonds4

About 2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one

2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one (PubChem CID 10612963) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one
PubChem CID10612963
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one
SMILESCCOc1ccc(C2(OC)Nc3ccccc3C2=O)cc1
InChIInChI=1S/C17H17NO3/c1-3-21-13-10-8-12(9-11-13)17(20-2)16(19)14-6-4-5-7-15(14)18-17/h4-11,18H,3H2,1-2H3
InChIKeyAEYYQQNTPPJLDG-UHFFFAOYSA-N
XLogP3.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-bis(4-methoxyphenyl)-1H-indol-3-one
CID 138738671
3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 2803146
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
(2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 703738
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
2-(4-hexoxyphenyl)-2-methyl-1,3-dihydroquinazolin-4-one
CID 54779345
3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135502764
3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54778314
3-butyl-2-(4-hexoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54778476
2-[4-(2-ethoxyethoxy)phenyl]-2-methyl-3-propan-2-yl-1H-quinazolin-4-one
CID 54777554
2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one
CID 54780419
2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one
CID 154722470

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one?
The IUPAC name of 2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one (CID 10612963) is 2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one is CCOc1ccc(C2(OC)Nc3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one?
The InChIKey is AEYYQQNTPPJLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-21-13-10-8-12(9-11-13)17(20-2)16(19)14-6-4-5-7-15(14)18-17/h4-11,18H,3H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one?
2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one has a molecular weight of 283.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one is sourced from PubChem (CID 10612963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).