1-(4-fluoro-3-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one

C18H20FNO — CID 63467131

IUPAC1-(4-fluoro-3-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)ccc1F
InChIInChI=1S/C18H20FNO/c1-11-7-13(5-6-15(11)19)20-12(2)8-14-16(20)9-18(3,4)10-17(14)21/h5-8H,9-10H2,1-4H3
InChIKeyMCILHGCBNJGTMJ-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.39
Rot. Bonds1

About 1-(4-fluoro-3-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one

1-(4-fluoro-3-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one (PubChem CID 63467131) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
PubChem CID63467131
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(4-fluoro-3-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)ccc1F
InChIInChI=1S/C18H20FNO/c1-11-7-13(5-6-15(11)19)20-12(2)8-14-16(20)9-18(3,4)10-17(14)21/h5-8H,9-10H2,1-4H3
InChIKeyMCILHGCBNJGTMJ-UHFFFAOYSA-N
XLogP4.39
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one (CID 63467131) is 1-(4-fluoro-3-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one is Cc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The InChIKey is MCILHGCBNJGTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-11-7-13(5-6-15(11)19)20-12(2)8-14-16(20)9-18(3,4)10-17(14)21/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
1-(4-fluoro-3-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one has a molecular weight of 285.36 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 63467131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).