4-fluoro-3-hydroxy-3-methyl-2H-inden-1-one

C10H9FO2 — CID 102415197

IUPAC4-fluoro-3-hydroxy-3-methyl-2H-inden-1-one
SMILESCC1(O)CC(=O)c2cccc(F)c21
InChIInChI=1S/C10H9FO2/c1-10(13)5-8(12)6-3-2-4-7(11)9(6)10/h2-4,13H,5H2,1H3
InChIKeyYHSFSDLBUCKUDD-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.62
Rot. Bonds

About 4-fluoro-3-hydroxy-3-methyl-2H-inden-1-one

4-fluoro-3-hydroxy-3-methyl-2H-inden-1-one (PubChem CID 102415197) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 4-fluoro-3-hydroxy-3-methyl-2H-inden-1-one.

Molecular Properties

Compound Name4-fluoro-3-hydroxy-3-methyl-2H-inden-1-one
PubChem CID102415197
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name4-fluoro-3-hydroxy-3-methyl-2H-inden-1-one
SMILESCC1(O)CC(=O)c2cccc(F)c21
InChIInChI=1S/C10H9FO2/c1-10(13)5-8(12)6-3-2-4-7(11)9(6)10/h2-4,13H,5H2,1H3
InChIKeyYHSFSDLBUCKUDD-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pterosin C
CID 186209
(2R,3S)-Pterosin C
CID 46850077
3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one
CID 5320782
Cylindrene
CID 190914
1-[9-Hydroxy-9-(trifluoromethyl)fluoren-4-yl]ethanone
CID 59492519
3-Hydroxy-1-indanone
CID 176448
7-Fluoro-4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione
CID 122194748
PHENINDIONE_met001
CID 74966460
2-hydroxy-2-(2-hydroxy-6-oxo-1-cyclohexen-1-yl)-1H-indene-1,3(2H)-dione
CID 671255
1-[9-Hydroxy-9-(trifluoromethyl)fluoren-4-yl]propan-1-one
CID 59492702
1-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]ethanone
CID 59492906
(2R-trans)-2,3-Dihydro-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-1H-inden-1-one
CID 169729

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-hydroxy-3-methyl-2H-inden-1-one?
The IUPAC name of 4-fluoro-3-hydroxy-3-methyl-2H-inden-1-one (CID 102415197) is 4-fluoro-3-hydroxy-3-methyl-2H-inden-1-one.
What is the SMILES notation for 4-fluoro-3-hydroxy-3-methyl-2H-inden-1-one?
The canonical SMILES for 4-fluoro-3-hydroxy-3-methyl-2H-inden-1-one is CC1(O)CC(=O)c2cccc(F)c21.
What is the InChIKey of 4-fluoro-3-hydroxy-3-methyl-2H-inden-1-one?
The InChIKey is YHSFSDLBUCKUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c1-10(13)5-8(12)6-3-2-4-7(11)9(6)10/h2-4,13H,5H2,1H3.
What are the key properties of 4-fluoro-3-hydroxy-3-methyl-2H-inden-1-one?
4-fluoro-3-hydroxy-3-methyl-2H-inden-1-one has a molecular weight of 180.18 g/mol, XLogP of 1.62, 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-3-methyl-2H-inden-1-one is sourced from PubChem (CID 102415197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).