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

C18H20FNO — CID 63466771

IUPAC1-(3-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1c(F)cccc1-n1c(C)cc2c1CC(C)(C)CC2=O
InChIInChI=1S/C18H20FNO/c1-11-8-13-16(9-18(3,4)10-17(13)21)20(11)15-7-5-6-14(19)12(15)2/h5-8H,9-10H2,1-4H3
InChIKeyGRVIUYANTJPKKH-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.39
Rot. Bonds1

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

1-(3-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one (PubChem CID 63466771) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
PubChem CID63466771
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(3-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1c(F)cccc1-n1c(C)cc2c1CC(C)(C)CC2=O
InChIInChI=1S/C18H20FNO/c1-11-8-13-16(9-18(3,4)10-17(13)21)20(11)15-7-5-6-14(19)12(15)2/h5-8H,9-10H2,1-4H3
InChIKeyGRVIUYANTJPKKH-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-(3-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one (CID 63466771) is 1-(3-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one is Cc1c(F)cccc1-n1c(C)cc2c1CC(C)(C)CC2=O.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The InChIKey is GRVIUYANTJPKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-11-8-13-16(9-18(3,4)10-17(13)21)20(11)15-7-5-6-14(19)12(15)2/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-(3-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
1-(3-fluoro-2-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-(3-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 63466771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).