benzo[a]fluoren-1-one

C17H10O — CID 57353479

IUPACbenzo[a]fluoren-1-one
SMILESO=C1C=CC=c2ccc3c(c21)C=c1ccccc1=3
InChIInChI=1S/C17H10O/c18-16-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-15(14)17(11)16/h1-10H
InChIKeyWVXMLBXFHITUIT-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.65
Rot. Bonds

About benzo[a]fluoren-1-one

benzo[a]fluoren-1-one (PubChem CID 57353479) has the molecular formula C17H10O and a molecular weight of 230.27 g/mol. Its IUPAC name is benzo[a]fluoren-1-one.

Molecular Properties

Compound Namebenzo[a]fluoren-1-one
PubChem CID57353479
Molecular FormulaC17H10O
Molecular Weight230.27 g/mol
Exact Mass230.07
IUPAC Namebenzo[a]fluoren-1-one
SMILESO=C1C=CC=c2ccc3c(c21)C=c1ccccc1=3
InChIInChI=1S/C17H10O/c18-16-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-15(14)17(11)16/h1-10H
InChIKeyWVXMLBXFHITUIT-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze benzo[a]fluoren-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzo[a]fluoren-1-one?
The IUPAC name of benzo[a]fluoren-1-one (CID 57353479) is benzo[a]fluoren-1-one.
What is the SMILES notation for benzo[a]fluoren-1-one?
The canonical SMILES for benzo[a]fluoren-1-one is O=C1C=CC=c2ccc3c(c21)C=c1ccccc1=3.
What is the InChIKey of benzo[a]fluoren-1-one?
The InChIKey is WVXMLBXFHITUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O/c18-16-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-15(14)17(11)16/h1-10H.
What are the key properties of benzo[a]fluoren-1-one?
benzo[a]fluoren-1-one has a molecular weight of 230.27 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[a]fluoren-1-one is sourced from PubChem (CID 57353479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).