3-cyclopentyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one

C21H23NO3 — CID 25062115

IUPAC3-cyclopentyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one
SMILESCOc1ccc2c(c1C)NC(=O)C2(c1ccc(O)cc1)C1CCCC1
InChIInChI=1S/C21H23NO3/c1-13-18(25-2)12-11-17-19(13)22-20(24)21(17,14-5-3-4-6-14)15-7-9-16(23)10-8-15/h7-12,14,23H,3-6H2,1-2H3,(H,22,24)
InChIKeyRJRXPZBHZMZHQM-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.14
Rot. Bonds3

About 3-cyclopentyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one

3-cyclopentyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one (PubChem CID 25062115) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-cyclopentyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-cyclopentyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one
PubChem CID25062115
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name3-cyclopentyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one
SMILESCOc1ccc2c(c1C)NC(=O)C2(c1ccc(O)cc1)C1CCCC1
InChIInChI=1S/C21H23NO3/c1-13-18(25-2)12-11-17-19(13)22-20(24)21(17,14-5-3-4-6-14)15-7-9-16(23)10-8-15/h7-12,14,23H,3-6H2,1-2H3,(H,22,24)
InChIKeyRJRXPZBHZMZHQM-UHFFFAOYSA-N
XLogP4.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one?
The IUPAC name of 3-cyclopentyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one (CID 25062115) is 3-cyclopentyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one.
What is the SMILES notation for 3-cyclopentyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one?
The canonical SMILES for 3-cyclopentyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one is COc1ccc2c(c1C)NC(=O)C2(c1ccc(O)cc1)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one?
The InChIKey is RJRXPZBHZMZHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-13-18(25-2)12-11-17-19(13)22-20(24)21(17,14-5-3-4-6-14)15-7-9-16(23)10-8-15/h7-12,14,23H,3-6H2,1-2H3,(H,22,24).
What are the key properties of 3-cyclopentyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one?
3-cyclopentyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one has a molecular weight of 337.42 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one is sourced from PubChem (CID 25062115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).