1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one

C24H23NO — CID 157328720

IUPAC1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one
SMILESCN1C(=O)C(C)(c2ccc(CCc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C24H23NO/c1-24(21-10-6-7-11-22(21)25(2)23(24)26)20-16-14-19(15-17-20)13-12-18-8-4-3-5-9-18/h3-11,14-17H,12-13H2,1-2H3
InChIKeyMGCZGMPRPRYZDG-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.75
Rot. Bonds4

About 1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one

1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one (PubChem CID 157328720) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one
PubChem CID157328720
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one
SMILESCN1C(=O)C(C)(c2ccc(CCc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C24H23NO/c1-24(21-10-6-7-11-22(21)25(2)23(24)26)20-16-14-19(15-17-20)13-12-18-8-4-3-5-9-18/h3-11,14-17H,12-13H2,1-2H3
InChIKeyMGCZGMPRPRYZDG-UHFFFAOYSA-N
XLogP4.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one?
The IUPAC name of 1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one (CID 157328720) is 1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one.
What is the SMILES notation for 1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one?
The canonical SMILES for 1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one is CN1C(=O)C(C)(c2ccc(CCc3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one?
The InChIKey is MGCZGMPRPRYZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-24(21-10-6-7-11-22(21)25(2)23(24)26)20-16-14-19(15-17-20)13-12-18-8-4-3-5-9-18/h3-11,14-17H,12-13H2,1-2H3.
What are the key properties of 1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one?
1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one has a molecular weight of 341.45 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one is sourced from PubChem (CID 157328720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).