4b,5,10b,11-tetrahydrochrysene-6,12-dione

C18H14O2 — CID 11265495

IUPAC4b,5,10b,11-tetrahydrochrysene-6,12-dione
SMILESO=C1CC2c3ccccc3C(=O)CC2c2ccccc21
InChIInChI=1S/C18H14O2/c19-17-10-16-12-6-2-4-8-14(12)18(20)9-15(16)11-5-1-3-7-13(11)17/h1-8,15-16H,9-10H2
InChIKeyQXNOHQMRONMROP-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.73
Rot. Bonds

About 4b,5,10b,11-tetrahydrochrysene-6,12-dione

4b,5,10b,11-tetrahydrochrysene-6,12-dione (PubChem CID 11265495) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4b,5,10b,11-tetrahydrochrysene-6,12-dione.

Molecular Properties

Compound Name4b,5,10b,11-tetrahydrochrysene-6,12-dione
PubChem CID11265495
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name4b,5,10b,11-tetrahydrochrysene-6,12-dione
SMILESO=C1CC2c3ccccc3C(=O)CC2c2ccccc21
InChIInChI=1S/C18H14O2/c19-17-10-16-12-6-2-4-8-14(12)18(20)9-15(16)11-5-1-3-7-13(11)17/h1-8,15-16H,9-10H2
InChIKeyQXNOHQMRONMROP-UHFFFAOYSA-N
XLogP3.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4b,5,10b,11-tetrahydrochrysene-6,12-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one
CID 20693098
3-bromo-2,3-dihydroinden-1-one
CID 11745912
3-(bromomethyl)-2,3-dihydroinden-1-one
CID 10799200
(3R)-3-tert-butyl-2,3-dihydroinden-1-one
CID 158775656
(3'aR,9'bS)-spiro[1,3-dioxolane-2,3'-2,3a,4,9b-tetrahydro-1H-cyclopenta[a]naphthalene]-5'-one
CID 14909433
3-oxo-1,2-dihydroindene-1-sulfinic acid
CID 175208861
1,2,3,4,4a,9a-hexahydrofluoren-9-one
CID 604181
(3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one
CID 102345002
2-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydronaphthalene-1,4-dione;methanol
CID 142932748
3-(2-methylpropyl)-2,3-dihydroinden-1-one
CID 63820625
(3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one
CID 134952620
3-butan-2-yl-2,3-dihydroinden-1-one
CID 146549905

Frequently Asked Questions

What is the IUPAC name of 4b,5,10b,11-tetrahydrochrysene-6,12-dione?
The IUPAC name of 4b,5,10b,11-tetrahydrochrysene-6,12-dione (CID 11265495) is 4b,5,10b,11-tetrahydrochrysene-6,12-dione.
What is the SMILES notation for 4b,5,10b,11-tetrahydrochrysene-6,12-dione?
The canonical SMILES for 4b,5,10b,11-tetrahydrochrysene-6,12-dione is O=C1CC2c3ccccc3C(=O)CC2c2ccccc21.
What is the InChIKey of 4b,5,10b,11-tetrahydrochrysene-6,12-dione?
The InChIKey is QXNOHQMRONMROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c19-17-10-16-12-6-2-4-8-14(12)18(20)9-15(16)11-5-1-3-7-13(11)17/h1-8,15-16H,9-10H2.
What are the key properties of 4b,5,10b,11-tetrahydrochrysene-6,12-dione?
4b,5,10b,11-tetrahydrochrysene-6,12-dione has a molecular weight of 262.31 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,5,10b,11-tetrahydrochrysene-6,12-dione is sourced from PubChem (CID 11265495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).