10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

C19H22O2 — CID 20779723

IUPAC10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
SMILESCC12CCC(=O)C=C1C=CC1C2=CCC2(C)C(=O)CCC12
InChIInChI=1S/C19H22O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,8,11,14-15H,5-7,9-10H2,1-2H3
InChIKeyGUWWFJOCHKNPRO-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.78
Rot. Bonds

About 10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,17-dione (PubChem CID 20779723) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,17-dione.

Molecular Properties

Compound Name10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
PubChem CID20779723
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
SMILESCC12CCC(=O)C=C1C=CC1C2=CCC2(C)C(=O)CCC12
InChIInChI=1S/C19H22O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,8,11,14-15H,5-7,9-10H2,1-2H3
InChIKeyGUWWFJOCHKNPRO-UHFFFAOYSA-N
XLogP3.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,17-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

(8S,10R,13S,14S)-10,13-dimethyl-2-methylidene-1,8,12,14,15,16-hexahydrocyclopenta[a]phenanthrene-3,17-dione
CID 91065445
(13S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthren-3-one
CID 143236807
2-[[(8S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]methyl]propanedioic acid
CID 141078425
[(10R,13S)-10,13-dimethyl-3-oxo-1,2,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] N,N-dimethylcarbamate;ethane
CID 143419655
7,10,13-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 20779739
(8R,9S,10S,13S,14R)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 163014958
3-hydroxy-10,13-dimethyl-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-one
CID 86032711
(8S,10R,13S,14S)-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-one
CID 54235745
(8S,10R,13S,14S)-3-hydroxy-6,10,13-trimethyl-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-one
CID 140975485
(8S,10R,13S,14S)-10,13-dimethyl-3-(1H-pyrrol-2-yl)-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-one
CID 155679773
15-hydroxy-2,16-dimethyltetracyclo[8.8.1.02,7.011,16]nonadeca-1(18),6,8-trien-5-one
CID 143236815
(10S,13S)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
CID 45280563

Frequently Asked Questions

What is the IUPAC name of 10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
The IUPAC name of 10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,17-dione (CID 20779723) is 10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,17-dione.
What is the SMILES notation for 10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
The canonical SMILES for 10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,17-dione is CC12CCC(=O)C=C1C=CC1C2=CCC2(C)C(=O)CCC12.
What is the InChIKey of 10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
The InChIKey is GUWWFJOCHKNPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,8,11,14-15H,5-7,9-10H2,1-2H3.
What are the key properties of 10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,17-dione has a molecular weight of 282.38 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,17-dione is sourced from PubChem (CID 20779723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).