5-methoxy-2-(4-propan-2-yloxyphenyl)indol-3-one

C18H17NO3 — CID 86288928

IUPAC5-methoxy-2-(4-propan-2-yloxyphenyl)indol-3-one
SMILESCOc1ccc2c(c1)C(=O)C(c1ccc(OC(C)C)cc1)=N2
InChIInChI=1S/C18H17NO3/c1-11(2)22-13-6-4-12(5-7-13)17-18(20)15-10-14(21-3)8-9-16(15)19-17/h4-11H,1-3H3
InChIKeyUWPOXLMRWQNWRN-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.80
Rot. Bonds4

About 5-methoxy-2-(4-propan-2-yloxyphenyl)indol-3-one

5-methoxy-2-(4-propan-2-yloxyphenyl)indol-3-one (PubChem CID 86288928) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-methoxy-2-(4-propan-2-yloxyphenyl)indol-3-one.

Molecular Properties

Compound Name5-methoxy-2-(4-propan-2-yloxyphenyl)indol-3-one
PubChem CID86288928
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name5-methoxy-2-(4-propan-2-yloxyphenyl)indol-3-one
SMILESCOc1ccc2c(c1)C(=O)C(c1ccc(OC(C)C)cc1)=N2
InChIInChI=1S/C18H17NO3/c1-11(2)22-13-6-4-12(5-7-13)17-18(20)15-10-14(21-3)8-9-16(15)19-17/h4-11H,1-3H3
InChIKeyUWPOXLMRWQNWRN-UHFFFAOYSA-N
XLogP3.80
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.80
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-propan-2-yloxyphenyl)indol-3-one?
The IUPAC name of 5-methoxy-2-(4-propan-2-yloxyphenyl)indol-3-one (CID 86288928) is 5-methoxy-2-(4-propan-2-yloxyphenyl)indol-3-one.
What is the SMILES notation for 5-methoxy-2-(4-propan-2-yloxyphenyl)indol-3-one?
The canonical SMILES for 5-methoxy-2-(4-propan-2-yloxyphenyl)indol-3-one is COc1ccc2c(c1)C(=O)C(c1ccc(OC(C)C)cc1)=N2.
What is the InChIKey of 5-methoxy-2-(4-propan-2-yloxyphenyl)indol-3-one?
The InChIKey is UWPOXLMRWQNWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11(2)22-13-6-4-12(5-7-13)17-18(20)15-10-14(21-3)8-9-16(15)19-17/h4-11H,1-3H3.
What are the key properties of 5-methoxy-2-(4-propan-2-yloxyphenyl)indol-3-one?
5-methoxy-2-(4-propan-2-yloxyphenyl)indol-3-one has a molecular weight of 295.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-propan-2-yloxyphenyl)indol-3-one is sourced from PubChem (CID 86288928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).