3-cycloheptyl-3-(4-hydroxyphenyl)-5,7-dimethyl-1H-indol-2-one

C23H27NO2 — CID 25062919

IUPAC3-cycloheptyl-3-(4-hydroxyphenyl)-5,7-dimethyl-1H-indol-2-one
SMILESCc1cc(C)c2c(c1)C(c1ccc(O)cc1)(C1CCCCCC1)C(=O)N2
InChIInChI=1S/C23H27NO2/c1-15-13-16(2)21-20(14-15)23(22(26)24-21,17-7-5-3-4-6-8-17)18-9-11-19(25)12-10-18/h9-14,17,25H,3-8H2,1-2H3,(H,24,26)
InChIKeySWKCKBXWFUZBAD-UHFFFAOYSA-N
MW349.47 g/mol
LogP5.22
Rot. Bonds2

About 3-cycloheptyl-3-(4-hydroxyphenyl)-5,7-dimethyl-1H-indol-2-one

3-cycloheptyl-3-(4-hydroxyphenyl)-5,7-dimethyl-1H-indol-2-one (PubChem CID 25062919) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 3-cycloheptyl-3-(4-hydroxyphenyl)-5,7-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name3-cycloheptyl-3-(4-hydroxyphenyl)-5,7-dimethyl-1H-indol-2-one
PubChem CID25062919
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name3-cycloheptyl-3-(4-hydroxyphenyl)-5,7-dimethyl-1H-indol-2-one
SMILESCc1cc(C)c2c(c1)C(c1ccc(O)cc1)(C1CCCCCC1)C(=O)N2
InChIInChI=1S/C23H27NO2/c1-15-13-16(2)21-20(14-15)23(22(26)24-21,17-7-5-3-4-6-8-17)18-9-11-19(25)12-10-18/h9-14,17,25H,3-8H2,1-2H3,(H,24,26)
InChIKeySWKCKBXWFUZBAD-UHFFFAOYSA-N
XLogP5.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-3-(4-hydroxyphenyl)-5,7-dimethyl-1H-indol-2-one?
The IUPAC name of 3-cycloheptyl-3-(4-hydroxyphenyl)-5,7-dimethyl-1H-indol-2-one (CID 25062919) is 3-cycloheptyl-3-(4-hydroxyphenyl)-5,7-dimethyl-1H-indol-2-one.
What is the SMILES notation for 3-cycloheptyl-3-(4-hydroxyphenyl)-5,7-dimethyl-1H-indol-2-one?
The canonical SMILES for 3-cycloheptyl-3-(4-hydroxyphenyl)-5,7-dimethyl-1H-indol-2-one is Cc1cc(C)c2c(c1)C(c1ccc(O)cc1)(C1CCCCCC1)C(=O)N2.
What is the InChIKey of 3-cycloheptyl-3-(4-hydroxyphenyl)-5,7-dimethyl-1H-indol-2-one?
The InChIKey is SWKCKBXWFUZBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-15-13-16(2)21-20(14-15)23(22(26)24-21,17-7-5-3-4-6-8-17)18-9-11-19(25)12-10-18/h9-14,17,25H,3-8H2,1-2H3,(H,24,26).
What are the key properties of 3-cycloheptyl-3-(4-hydroxyphenyl)-5,7-dimethyl-1H-indol-2-one?
3-cycloheptyl-3-(4-hydroxyphenyl)-5,7-dimethyl-1H-indol-2-one has a molecular weight of 349.47 g/mol, XLogP of 5.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-3-(4-hydroxyphenyl)-5,7-dimethyl-1H-indol-2-one is sourced from PubChem (CID 25062919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).