fluoren-4-one

C13H8O — CID 21476777

IUPACfluoren-4-one
SMILESO=C1C=CC=C2C=c3ccccc3=C12
InChIInChI=1S/C13H8O/c14-12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-8H
InChIKeyPWVDFPINYKVAFM-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.70
Rot. Bonds

About fluoren-4-one

fluoren-4-one (PubChem CID 21476777) has the molecular formula C13H8O and a molecular weight of 180.21 g/mol. Its IUPAC name is fluoren-4-one.

Molecular Properties

Compound Namefluoren-4-one
PubChem CID21476777
Molecular FormulaC13H8O
Molecular Weight180.21 g/mol
Exact Mass180.06
IUPAC Namefluoren-4-one
SMILESO=C1C=CC=C2C=c3ccccc3=C12
InChIInChI=1S/C13H8O/c14-12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-8H
InChIKeyPWVDFPINYKVAFM-UHFFFAOYSA-N
XLogP0.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of fluoren-4-one?
The IUPAC name of fluoren-4-one (CID 21476777) is fluoren-4-one.
What is the SMILES notation for fluoren-4-one?
The canonical SMILES for fluoren-4-one is O=C1C=CC=C2C=c3ccccc3=C12.
What is the InChIKey of fluoren-4-one?
The InChIKey is PWVDFPINYKVAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O/c14-12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-8H.
What are the key properties of fluoren-4-one?
fluoren-4-one has a molecular weight of 180.21 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoren-4-one is sourced from PubChem (CID 21476777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).