3-(4-chlorophenyl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one

C23H22ClNO — CID 102218907

IUPAC3-(4-chlorophenyl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one
SMILESCc1c(-c2ccc(Cl)cc2)c2c(n1-c1ccccc1)CC(C)(C)CC2=O
InChIInChI=1S/C23H22ClNO/c1-15-21(16-9-11-17(24)12-10-16)22-19(13-23(2,3)14-20(22)26)25(15)18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3
InChIKeyHKZXOOPSTBSXEL-UHFFFAOYSA-N
MW363.89 g/mol
LogP6.26
Rot. Bonds2

About 3-(4-chlorophenyl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one

3-(4-chlorophenyl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one (PubChem CID 102218907) has the molecular formula C23H22ClNO and a molecular weight of 363.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one
PubChem CID102218907
Molecular FormulaC23H22ClNO
Molecular Weight363.89 g/mol
Exact Mass363.14
IUPAC Name3-(4-chlorophenyl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one
SMILESCc1c(-c2ccc(Cl)cc2)c2c(n1-c1ccccc1)CC(C)(C)CC2=O
InChIInChI=1S/C23H22ClNO/c1-15-21(16-9-11-17(24)12-10-16)22-19(13-23(2,3)14-20(22)26)25(15)18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3
InChIKeyHKZXOOPSTBSXEL-UHFFFAOYSA-N
XLogP6.26
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.89
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one (CID 102218907) is 3-(4-chlorophenyl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one is Cc1c(-c2ccc(Cl)cc2)c2c(n1-c1ccccc1)CC(C)(C)CC2=O.
What is the InChIKey of 3-(4-chlorophenyl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one?
The InChIKey is HKZXOOPSTBSXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO/c1-15-21(16-9-11-17(24)12-10-16)22-19(13-23(2,3)14-20(22)26)25(15)18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one?
3-(4-chlorophenyl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one has a molecular weight of 363.89 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 102218907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).