benzo[a]fluoren-4-one

C17H10O — CID 57488244

IUPACbenzo[a]fluoren-4-one
SMILESO=C1C=CC=c2c1ccc1c2=Cc2ccccc2-1
InChIInChI=1S/C17H10O/c18-17-7-3-6-13-15(17)9-8-14-12-5-2-1-4-11(12)10-16(13)14/h1-10H
InChIKeyKKUVVEPDOZAOHU-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.03
Rot. Bonds

About benzo[a]fluoren-4-one

benzo[a]fluoren-4-one (PubChem CID 57488244) has the molecular formula C17H10O and a molecular weight of 230.27 g/mol. Its IUPAC name is benzo[a]fluoren-4-one.

Molecular Properties

Compound Namebenzo[a]fluoren-4-one
PubChem CID57488244
Molecular FormulaC17H10O
Molecular Weight230.27 g/mol
Exact Mass230.07
IUPAC Namebenzo[a]fluoren-4-one
SMILESO=C1C=CC=c2c1ccc1c2=Cc2ccccc2-1
InChIInChI=1S/C17H10O/c18-17-7-3-6-13-15(17)9-8-14-12-5-2-1-4-11(12)10-16(13)14/h1-10H
InChIKeyKKUVVEPDOZAOHU-UHFFFAOYSA-N
XLogP2.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzo[a]fluoren-4-one?
The IUPAC name of benzo[a]fluoren-4-one (CID 57488244) is benzo[a]fluoren-4-one.
What is the SMILES notation for benzo[a]fluoren-4-one?
The canonical SMILES for benzo[a]fluoren-4-one is O=C1C=CC=c2c1ccc1c2=Cc2ccccc2-1.
What is the InChIKey of benzo[a]fluoren-4-one?
The InChIKey is KKUVVEPDOZAOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O/c18-17-7-3-6-13-15(17)9-8-14-12-5-2-1-4-11(12)10-16(13)14/h1-10H.
What are the key properties of benzo[a]fluoren-4-one?
benzo[a]fluoren-4-one has a molecular weight of 230.27 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[a]fluoren-4-one is sourced from PubChem (CID 57488244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).