1,2,4,9-tetrahydrofluoren-3-one

C13H12O — CID 142643573

IUPAC1,2,4,9-tetrahydrofluoren-3-one
SMILESO=C1CCC2=C(C1)c1ccccc1C2
InChIInChI=1S/C13H12O/c14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-4H,5-8H2
InChIKeyOOBACQBHSBLUHZ-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.75
Rot. Bonds

About 1,2,4,9-tetrahydrofluoren-3-one

1,2,4,9-tetrahydrofluoren-3-one (PubChem CID 142643573) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1,2,4,9-tetrahydrofluoren-3-one.

Molecular Properties

Compound Name1,2,4,9-tetrahydrofluoren-3-one
PubChem CID142643573
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name1,2,4,9-tetrahydrofluoren-3-one
SMILESO=C1CCC2=C(C1)c1ccccc1C2
InChIInChI=1S/C13H12O/c14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-4H,5-8H2
InChIKeyOOBACQBHSBLUHZ-UHFFFAOYSA-N
XLogP2.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,9-tetrahydrofluoren-3-one?
The IUPAC name of 1,2,4,9-tetrahydrofluoren-3-one (CID 142643573) is 1,2,4,9-tetrahydrofluoren-3-one.
What is the SMILES notation for 1,2,4,9-tetrahydrofluoren-3-one?
The canonical SMILES for 1,2,4,9-tetrahydrofluoren-3-one is O=C1CCC2=C(C1)c1ccccc1C2.
What is the InChIKey of 1,2,4,9-tetrahydrofluoren-3-one?
The InChIKey is OOBACQBHSBLUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-4H,5-8H2.
What are the key properties of 1,2,4,9-tetrahydrofluoren-3-one?
1,2,4,9-tetrahydrofluoren-3-one has a molecular weight of 184.24 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,9-tetrahydrofluoren-3-one is sourced from PubChem (CID 142643573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).