8,8a-dihydro-4H-anthracen-1-one

C14H12O — CID 123429851

IUPAC8,8a-dihydro-4H-anthracen-1-one
SMILESO=C1C=CCC2=CC3=CC=CCC3C=C12
InChIInChI=1S/C14H12O/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-4,7-9,11H,5-6H2
InChIKeyRNBTYORAPHMHFO-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.88
Rot. Bonds

About 8,8a-dihydro-4H-anthracen-1-one

8,8a-dihydro-4H-anthracen-1-one (PubChem CID 123429851) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 8,8a-dihydro-4H-anthracen-1-one.

Molecular Properties

Compound Name8,8a-dihydro-4H-anthracen-1-one
PubChem CID123429851
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name8,8a-dihydro-4H-anthracen-1-one
SMILESO=C1C=CCC2=CC3=CC=CCC3C=C12
InChIInChI=1S/C14H12O/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-4,7-9,11H,5-6H2
InChIKeyRNBTYORAPHMHFO-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,8a-dihydro-4H-anthracen-1-one?
The IUPAC name of 8,8a-dihydro-4H-anthracen-1-one (CID 123429851) is 8,8a-dihydro-4H-anthracen-1-one.
What is the SMILES notation for 8,8a-dihydro-4H-anthracen-1-one?
The canonical SMILES for 8,8a-dihydro-4H-anthracen-1-one is O=C1C=CCC2=CC3=CC=CCC3C=C12.
What is the InChIKey of 8,8a-dihydro-4H-anthracen-1-one?
The InChIKey is RNBTYORAPHMHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-4,7-9,11H,5-6H2.
What are the key properties of 8,8a-dihydro-4H-anthracen-1-one?
8,8a-dihydro-4H-anthracen-1-one has a molecular weight of 196.25 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8a-dihydro-4H-anthracen-1-one is sourced from PubChem (CID 123429851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).