3,9-dihydrofluoren-4-one

C13H10O — CID 15012452

IUPAC3,9-dihydrofluoren-4-one
SMILESO=C1CC=CC2=C1c1ccccc1C2
InChIInChI=1S/C13H10O/c14-12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-6H,7-8H2
InChIKeyWHIIZGUUEZMGQF-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.53
Rot. Bonds

About 3,9-dihydrofluoren-4-one

3,9-dihydrofluoren-4-one (PubChem CID 15012452) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is 3,9-dihydrofluoren-4-one.

Molecular Properties

Compound Name3,9-dihydrofluoren-4-one
PubChem CID15012452
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Name3,9-dihydrofluoren-4-one
SMILESO=C1CC=CC2=C1c1ccccc1C2
InChIInChI=1S/C13H10O/c14-12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-6H,7-8H2
InChIKeyWHIIZGUUEZMGQF-UHFFFAOYSA-N
XLogP2.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,9-dihydrofluoren-4-one?
The IUPAC name of 3,9-dihydrofluoren-4-one (CID 15012452) is 3,9-dihydrofluoren-4-one.
What is the SMILES notation for 3,9-dihydrofluoren-4-one?
The canonical SMILES for 3,9-dihydrofluoren-4-one is O=C1CC=CC2=C1c1ccccc1C2.
What is the InChIKey of 3,9-dihydrofluoren-4-one?
The InChIKey is WHIIZGUUEZMGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O/c14-12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-6H,7-8H2.
What are the key properties of 3,9-dihydrofluoren-4-one?
3,9-dihydrofluoren-4-one has a molecular weight of 182.22 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dihydrofluoren-4-one is sourced from PubChem (CID 15012452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).