5-methoxy-2-(4-methoxyphenyl)indol-3-one

C16H13NO3 — CID 86288912

IUPAC5-methoxy-2-(4-methoxyphenyl)indol-3-one
SMILESCOc1ccc(C2=Nc3ccc(OC)cc3C2=O)cc1
InChIInChI=1S/C16H13NO3/c1-19-11-5-3-10(4-6-11)15-16(18)13-9-12(20-2)7-8-14(13)17-15/h3-9H,1-2H3
InChIKeyVCLRIWYAOAOICS-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.02
Rot. Bonds3

About 5-methoxy-2-(4-methoxyphenyl)indol-3-one

5-methoxy-2-(4-methoxyphenyl)indol-3-one (PubChem CID 86288912) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-methoxy-2-(4-methoxyphenyl)indol-3-one.

Molecular Properties

Compound Name5-methoxy-2-(4-methoxyphenyl)indol-3-one
PubChem CID86288912
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name5-methoxy-2-(4-methoxyphenyl)indol-3-one
SMILESCOc1ccc(C2=Nc3ccc(OC)cc3C2=O)cc1
InChIInChI=1S/C16H13NO3/c1-19-11-5-3-10(4-6-11)15-16(18)13-9-12(20-2)7-8-14(13)17-15/h3-9H,1-2H3
InChIKeyVCLRIWYAOAOICS-UHFFFAOYSA-N
XLogP3.02
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methoxyphenyl)indol-3-one?
The IUPAC name of 5-methoxy-2-(4-methoxyphenyl)indol-3-one (CID 86288912) is 5-methoxy-2-(4-methoxyphenyl)indol-3-one.
What is the SMILES notation for 5-methoxy-2-(4-methoxyphenyl)indol-3-one?
The canonical SMILES for 5-methoxy-2-(4-methoxyphenyl)indol-3-one is COc1ccc(C2=Nc3ccc(OC)cc3C2=O)cc1.
What is the InChIKey of 5-methoxy-2-(4-methoxyphenyl)indol-3-one?
The InChIKey is VCLRIWYAOAOICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-19-11-5-3-10(4-6-11)15-16(18)13-9-12(20-2)7-8-14(13)17-15/h3-9H,1-2H3.
What are the key properties of 5-methoxy-2-(4-methoxyphenyl)indol-3-one?
5-methoxy-2-(4-methoxyphenyl)indol-3-one has a molecular weight of 267.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methoxyphenyl)indol-3-one is sourced from PubChem (CID 86288912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).