2-(3-fluorophenyl)-3-hydroxy-2-methyl-3H-inden-1-one

C16H13FO2 — CID 156789509

IUPAC2-(3-fluorophenyl)-3-hydroxy-2-methyl-3H-inden-1-one
SMILESCC1(c2cccc(F)c2)C(=O)c2ccccc2C1O
InChIInChI=1S/C16H13FO2/c1-16(10-5-4-6-11(17)9-10)14(18)12-7-2-3-8-13(12)15(16)19/h2-9,14,18H,1H3
InChIKeyFGQLHFCWZCNETJ-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.01
Rot. Bonds1

About 2-(3-fluorophenyl)-3-hydroxy-2-methyl-3H-inden-1-one

2-(3-fluorophenyl)-3-hydroxy-2-methyl-3H-inden-1-one (PubChem CID 156789509) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-hydroxy-2-methyl-3H-inden-1-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-hydroxy-2-methyl-3H-inden-1-one
PubChem CID156789509
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name2-(3-fluorophenyl)-3-hydroxy-2-methyl-3H-inden-1-one
SMILESCC1(c2cccc(F)c2)C(=O)c2ccccc2C1O
InChIInChI=1S/C16H13FO2/c1-16(10-5-4-6-11(17)9-10)14(18)12-7-2-3-8-13(12)15(16)19/h2-9,14,18H,1H3
InChIKeyFGQLHFCWZCNETJ-UHFFFAOYSA-N
XLogP3.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-hydroxy-2-methyl-3H-inden-1-one?
The IUPAC name of 2-(3-fluorophenyl)-3-hydroxy-2-methyl-3H-inden-1-one (CID 156789509) is 2-(3-fluorophenyl)-3-hydroxy-2-methyl-3H-inden-1-one.
What is the SMILES notation for 2-(3-fluorophenyl)-3-hydroxy-2-methyl-3H-inden-1-one?
The canonical SMILES for 2-(3-fluorophenyl)-3-hydroxy-2-methyl-3H-inden-1-one is CC1(c2cccc(F)c2)C(=O)c2ccccc2C1O.
What is the InChIKey of 2-(3-fluorophenyl)-3-hydroxy-2-methyl-3H-inden-1-one?
The InChIKey is FGQLHFCWZCNETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2/c1-16(10-5-4-6-11(17)9-10)14(18)12-7-2-3-8-13(12)15(16)19/h2-9,14,18H,1H3.
What are the key properties of 2-(3-fluorophenyl)-3-hydroxy-2-methyl-3H-inden-1-one?
2-(3-fluorophenyl)-3-hydroxy-2-methyl-3H-inden-1-one has a molecular weight of 256.28 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-hydroxy-2-methyl-3H-inden-1-one is sourced from PubChem (CID 156789509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).