6-(2-fluoro-4-methylphenyl)-2,3-dihydroinden-1-one

C16H13FO — CID 169409882

IUPAC6-(2-fluoro-4-methylphenyl)-2,3-dihydroinden-1-one
SMILESCc1ccc(-c2ccc3c(c2)C(=O)CC3)c(F)c1
InChIInChI=1S/C16H13FO/c1-10-2-6-13(15(17)8-10)12-4-3-11-5-7-16(18)14(11)9-12/h2-4,6,8-9H,5,7H2,1H3
InChIKeyMWILMIALSYFGAU-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.93
Rot. Bonds1

About 6-(2-fluoro-4-methylphenyl)-2,3-dihydroinden-1-one

6-(2-fluoro-4-methylphenyl)-2,3-dihydroinden-1-one (PubChem CID 169409882) has the molecular formula C16H13FO and a molecular weight of 240.28 g/mol. Its IUPAC name is 6-(2-fluoro-4-methylphenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-(2-fluoro-4-methylphenyl)-2,3-dihydroinden-1-one
PubChem CID169409882
Molecular FormulaC16H13FO
Molecular Weight240.28 g/mol
Exact Mass240.10
IUPAC Name6-(2-fluoro-4-methylphenyl)-2,3-dihydroinden-1-one
SMILESCc1ccc(-c2ccc3c(c2)C(=O)CC3)c(F)c1
InChIInChI=1S/C16H13FO/c1-10-2-6-13(15(17)8-10)12-4-3-11-5-7-16(18)14(11)9-12/h2-4,6,8-9H,5,7H2,1H3
InChIKeyMWILMIALSYFGAU-UHFFFAOYSA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-methylphenyl)-2,3-dihydroinden-1-one?
The IUPAC name of 6-(2-fluoro-4-methylphenyl)-2,3-dihydroinden-1-one (CID 169409882) is 6-(2-fluoro-4-methylphenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-(2-fluoro-4-methylphenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 6-(2-fluoro-4-methylphenyl)-2,3-dihydroinden-1-one is Cc1ccc(-c2ccc3c(c2)C(=O)CC3)c(F)c1.
What is the InChIKey of 6-(2-fluoro-4-methylphenyl)-2,3-dihydroinden-1-one?
The InChIKey is MWILMIALSYFGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO/c1-10-2-6-13(15(17)8-10)12-4-3-11-5-7-16(18)14(11)9-12/h2-4,6,8-9H,5,7H2,1H3.
What are the key properties of 6-(2-fluoro-4-methylphenyl)-2,3-dihydroinden-1-one?
6-(2-fluoro-4-methylphenyl)-2,3-dihydroinden-1-one has a molecular weight of 240.28 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-methylphenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 169409882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).