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

C20H20BrNO2 — CID 25062385

IUPAC7-bromo-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1Br)NC(=O)C2(c1ccc(O)cc1)C1CCCC1
InChIInChI=1S/C20H20BrNO2/c1-12-6-11-16-18(17(12)21)22-19(24)20(16,13-4-2-3-5-13)14-7-9-15(23)10-8-14/h6-11,13,23H,2-5H2,1H3,(H,22,24)
InChIKeyINPBFORKIXOYGR-UHFFFAOYSA-N
MW386.29 g/mol
LogP4.89
Rot. Bonds2

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

7-bromo-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one (PubChem CID 25062385) has the molecular formula C20H20BrNO2 and a molecular weight of 386.29 g/mol. Its IUPAC name is 7-bromo-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one.

Molecular Properties

Compound Name7-bromo-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one
PubChem CID25062385
Molecular FormulaC20H20BrNO2
Molecular Weight386.29 g/mol
Exact Mass385.07
IUPAC Name7-bromo-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1Br)NC(=O)C2(c1ccc(O)cc1)C1CCCC1
InChIInChI=1S/C20H20BrNO2/c1-12-6-11-16-18(17(12)21)22-19(24)20(16,13-4-2-3-5-13)14-7-9-15(23)10-8-14/h6-11,13,23H,2-5H2,1H3,(H,22,24)
InChIKeyINPBFORKIXOYGR-UHFFFAOYSA-N
XLogP4.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one?
The IUPAC name of 7-bromo-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one (CID 25062385) is 7-bromo-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one.
What is the SMILES notation for 7-bromo-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one?
The canonical SMILES for 7-bromo-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one is Cc1ccc2c(c1Br)NC(=O)C2(c1ccc(O)cc1)C1CCCC1.
What is the InChIKey of 7-bromo-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one?
The InChIKey is INPBFORKIXOYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrNO2/c1-12-6-11-16-18(17(12)21)22-19(24)20(16,13-4-2-3-5-13)14-7-9-15(23)10-8-14/h6-11,13,23H,2-5H2,1H3,(H,22,24).
What are the key properties of 7-bromo-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one?
7-bromo-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one has a molecular weight of 386.29 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one is sourced from PubChem (CID 25062385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).