2-fluoro-3-hydroxy-2-[(2-methylphenyl)methyl]-3H-inden-1-one

C17H15FO2 — CID 171780599

IUPAC2-fluoro-3-hydroxy-2-[(2-methylphenyl)methyl]-3H-inden-1-one
SMILESCc1ccccc1CC1(F)C(=O)c2ccccc2C1O
InChIInChI=1S/C17H15FO2/c1-11-6-2-3-7-12(11)10-17(18)15(19)13-8-4-5-9-14(13)16(17)20/h2-9,15,19H,10H2,1H3
InChIKeySURAJBPDNCOGKV-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.18
Rot. Bonds2

About 2-fluoro-3-hydroxy-2-[(2-methylphenyl)methyl]-3H-inden-1-one

2-fluoro-3-hydroxy-2-[(2-methylphenyl)methyl]-3H-inden-1-one (PubChem CID 171780599) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-fluoro-3-hydroxy-2-[(2-methylphenyl)methyl]-3H-inden-1-one.

Molecular Properties

Compound Name2-fluoro-3-hydroxy-2-[(2-methylphenyl)methyl]-3H-inden-1-one
PubChem CID171780599
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name2-fluoro-3-hydroxy-2-[(2-methylphenyl)methyl]-3H-inden-1-one
SMILESCc1ccccc1CC1(F)C(=O)c2ccccc2C1O
InChIInChI=1S/C17H15FO2/c1-11-6-2-3-7-12(11)10-17(18)15(19)13-8-4-5-9-14(13)16(17)20/h2-9,15,19H,10H2,1H3
InChIKeySURAJBPDNCOGKV-UHFFFAOYSA-N
XLogP3.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxy-2-[(2-methylphenyl)methyl]-3H-inden-1-one?
The IUPAC name of 2-fluoro-3-hydroxy-2-[(2-methylphenyl)methyl]-3H-inden-1-one (CID 171780599) is 2-fluoro-3-hydroxy-2-[(2-methylphenyl)methyl]-3H-inden-1-one.
What is the SMILES notation for 2-fluoro-3-hydroxy-2-[(2-methylphenyl)methyl]-3H-inden-1-one?
The canonical SMILES for 2-fluoro-3-hydroxy-2-[(2-methylphenyl)methyl]-3H-inden-1-one is Cc1ccccc1CC1(F)C(=O)c2ccccc2C1O.
What is the InChIKey of 2-fluoro-3-hydroxy-2-[(2-methylphenyl)methyl]-3H-inden-1-one?
The InChIKey is SURAJBPDNCOGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c1-11-6-2-3-7-12(11)10-17(18)15(19)13-8-4-5-9-14(13)16(17)20/h2-9,15,19H,10H2,1H3.
What are the key properties of 2-fluoro-3-hydroxy-2-[(2-methylphenyl)methyl]-3H-inden-1-one?
2-fluoro-3-hydroxy-2-[(2-methylphenyl)methyl]-3H-inden-1-one has a molecular weight of 270.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxy-2-[(2-methylphenyl)methyl]-3H-inden-1-one is sourced from PubChem (CID 171780599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).