4-(2,4-difluoro-5-methylphenyl)-2,3-dihydroinden-1-one

C16H12F2O — CID 114081142

IUPAC4-(2,4-difluoro-5-methylphenyl)-2,3-dihydroinden-1-one
SMILESCc1cc(-c2cccc3c2CCC3=O)c(F)cc1F
InChIInChI=1S/C16H12F2O/c1-9-7-13(15(18)8-14(9)17)10-3-2-4-12-11(10)5-6-16(12)19/h2-4,7-8H,5-6H2,1H3
InChIKeyWVPSZAXFEYYFDP-UHFFFAOYSA-N
MW258.27 g/mol
LogP4.07
Rot. Bonds1

About 4-(2,4-difluoro-5-methylphenyl)-2,3-dihydroinden-1-one

4-(2,4-difluoro-5-methylphenyl)-2,3-dihydroinden-1-one (PubChem CID 114081142) has the molecular formula C16H12F2O and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-(2,4-difluoro-5-methylphenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-(2,4-difluoro-5-methylphenyl)-2,3-dihydroinden-1-one
PubChem CID114081142
Molecular FormulaC16H12F2O
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name4-(2,4-difluoro-5-methylphenyl)-2,3-dihydroinden-1-one
SMILESCc1cc(-c2cccc3c2CCC3=O)c(F)cc1F
InChIInChI=1S/C16H12F2O/c1-9-7-13(15(18)8-14(9)17)10-3-2-4-12-11(10)5-6-16(12)19/h2-4,7-8H,5-6H2,1H3
InChIKeyWVPSZAXFEYYFDP-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(2,5-difluoro-4-methylphenyl)-2-fluorobenzoic acid
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N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide
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CID 640553

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoro-5-methylphenyl)-2,3-dihydroinden-1-one?
The IUPAC name of 4-(2,4-difluoro-5-methylphenyl)-2,3-dihydroinden-1-one (CID 114081142) is 4-(2,4-difluoro-5-methylphenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-(2,4-difluoro-5-methylphenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 4-(2,4-difluoro-5-methylphenyl)-2,3-dihydroinden-1-one is Cc1cc(-c2cccc3c2CCC3=O)c(F)cc1F.
What is the InChIKey of 4-(2,4-difluoro-5-methylphenyl)-2,3-dihydroinden-1-one?
The InChIKey is WVPSZAXFEYYFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O/c1-9-7-13(15(18)8-14(9)17)10-3-2-4-12-11(10)5-6-16(12)19/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 4-(2,4-difluoro-5-methylphenyl)-2,3-dihydroinden-1-one?
4-(2,4-difluoro-5-methylphenyl)-2,3-dihydroinden-1-one has a molecular weight of 258.27 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoro-5-methylphenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 114081142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).