4,5-dimethylidenefluoren-9-one

C15H10O — CID 87629629

IUPAC4,5-dimethylidenefluoren-9-one
SMILESC=c1cccc2c1=c1c(cccc1=C)C2=O
InChIInChI=1S/C15H10O/c1-9-5-3-7-11-13(9)14-10(2)6-4-8-12(14)15(11)16/h3-8H,1-2H2
InChIKeyOZAGPIOWFULXHC-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.34
Rot. Bonds

About 4,5-dimethylidenefluoren-9-one

4,5-dimethylidenefluoren-9-one (PubChem CID 87629629) has the molecular formula C15H10O and a molecular weight of 206.24 g/mol. Its IUPAC name is 4,5-dimethylidenefluoren-9-one.

Molecular Properties

Compound Name4,5-dimethylidenefluoren-9-one
PubChem CID87629629
Molecular FormulaC15H10O
Molecular Weight206.24 g/mol
Exact Mass206.07
IUPAC Name4,5-dimethylidenefluoren-9-one
SMILESC=c1cccc2c1=c1c(cccc1=C)C2=O
InChIInChI=1S/C15H10O/c1-9-5-3-7-11-13(9)14-10(2)6-4-8-12(14)15(11)16/h3-8H,1-2H2
InChIKeyOZAGPIOWFULXHC-UHFFFAOYSA-N
XLogP1.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylidenefluoren-9-one?
The IUPAC name of 4,5-dimethylidenefluoren-9-one (CID 87629629) is 4,5-dimethylidenefluoren-9-one.
What is the SMILES notation for 4,5-dimethylidenefluoren-9-one?
The canonical SMILES for 4,5-dimethylidenefluoren-9-one is C=c1cccc2c1=c1c(cccc1=C)C2=O.
What is the InChIKey of 4,5-dimethylidenefluoren-9-one?
The InChIKey is OZAGPIOWFULXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O/c1-9-5-3-7-11-13(9)14-10(2)6-4-8-12(14)15(11)16/h3-8H,1-2H2.
What are the key properties of 4,5-dimethylidenefluoren-9-one?
4,5-dimethylidenefluoren-9-one has a molecular weight of 206.24 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylidenefluoren-9-one is sourced from PubChem (CID 87629629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).