4-fluoro-3-hydroxy-5-methyl-2,3-dihydroinden-1-one

C10H9FO2 — CID 102415199

IUPAC4-fluoro-3-hydroxy-5-methyl-2,3-dihydroinden-1-one
SMILESCc1ccc2c(c1F)C(O)CC2=O
InChIInChI=1S/C10H9FO2/c1-5-2-3-6-7(12)4-8(13)9(6)10(5)11/h2-3,8,13H,4H2,1H3
InChIKeyMIYHYVXOUSXMNQ-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.75
Rot. Bonds

About 4-fluoro-3-hydroxy-5-methyl-2,3-dihydroinden-1-one

4-fluoro-3-hydroxy-5-methyl-2,3-dihydroinden-1-one (PubChem CID 102415199) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 4-fluoro-3-hydroxy-5-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-fluoro-3-hydroxy-5-methyl-2,3-dihydroinden-1-one
PubChem CID102415199
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name4-fluoro-3-hydroxy-5-methyl-2,3-dihydroinden-1-one
SMILESCc1ccc2c(c1F)C(O)CC2=O
InChIInChI=1S/C10H9FO2/c1-5-2-3-6-7(12)4-8(13)9(6)10(5)11/h2-3,8,13H,4H2,1H3
InChIKeyMIYHYVXOUSXMNQ-UHFFFAOYSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-hydroxy-5-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 4-fluoro-3-hydroxy-5-methyl-2,3-dihydroinden-1-one (CID 102415199) is 4-fluoro-3-hydroxy-5-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-fluoro-3-hydroxy-5-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 4-fluoro-3-hydroxy-5-methyl-2,3-dihydroinden-1-one is Cc1ccc2c(c1F)C(O)CC2=O.
What is the InChIKey of 4-fluoro-3-hydroxy-5-methyl-2,3-dihydroinden-1-one?
The InChIKey is MIYHYVXOUSXMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c1-5-2-3-6-7(12)4-8(13)9(6)10(5)11/h2-3,8,13H,4H2,1H3.
What are the key properties of 4-fluoro-3-hydroxy-5-methyl-2,3-dihydroinden-1-one?
4-fluoro-3-hydroxy-5-methyl-2,3-dihydroinden-1-one has a molecular weight of 180.18 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-hydroxy-5-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 102415199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).