2,10b-dihydro-1H-aceanthrylen-6-one

C16H12O — CID 176639548

IUPAC2,10b-dihydro-1H-aceanthrylen-6-one
SMILESO=C1c2ccccc2C2CCc3cccc1c32
InChIInChI=1S/C16H12O/c17-16-13-6-2-1-5-11(13)12-9-8-10-4-3-7-14(16)15(10)12/h1-7,12H,8-9H2
InChIKeyMXXKEVJRWPYEIC-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.31
Rot. Bonds

About 2,10b-dihydro-1H-aceanthrylen-6-one

2,10b-dihydro-1H-aceanthrylen-6-one (PubChem CID 176639548) has the molecular formula C16H12O and a molecular weight of 220.27 g/mol. Its IUPAC name is 2,10b-dihydro-1H-aceanthrylen-6-one.

Molecular Properties

Compound Name2,10b-dihydro-1H-aceanthrylen-6-one
PubChem CID176639548
Molecular FormulaC16H12O
Molecular Weight220.27 g/mol
Exact Mass220.09
IUPAC Name2,10b-dihydro-1H-aceanthrylen-6-one
SMILESO=C1c2ccccc2C2CCc3cccc1c32
InChIInChI=1S/C16H12O/c17-16-13-6-2-1-5-11(13)12-9-8-10-4-3-7-14(16)15(10)12/h1-7,12H,8-9H2
InChIKeyMXXKEVJRWPYEIC-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,10b-dihydro-1H-aceanthrylen-6-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 2,10b-dihydro-1H-aceanthrylen-6-one?
The IUPAC name of 2,10b-dihydro-1H-aceanthrylen-6-one (CID 176639548) is 2,10b-dihydro-1H-aceanthrylen-6-one.
What is the SMILES notation for 2,10b-dihydro-1H-aceanthrylen-6-one?
The canonical SMILES for 2,10b-dihydro-1H-aceanthrylen-6-one is O=C1c2ccccc2C2CCc3cccc1c32.
What is the InChIKey of 2,10b-dihydro-1H-aceanthrylen-6-one?
The InChIKey is MXXKEVJRWPYEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O/c17-16-13-6-2-1-5-11(13)12-9-8-10-4-3-7-14(16)15(10)12/h1-7,12H,8-9H2.
What are the key properties of 2,10b-dihydro-1H-aceanthrylen-6-one?
2,10b-dihydro-1H-aceanthrylen-6-one has a molecular weight of 220.27 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10b-dihydro-1H-aceanthrylen-6-one is sourced from PubChem (CID 176639548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).