Oxogestone phenpropionate

C29H38O3 — CID 20055360

IUPAC[(1R)-1-[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] 3-phenylpropanoate
SMILESC[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)OC(=O)CCC5=CC=CC=C5
InChIInChI=1S/C29H38O3/c1-19(32-28(31)15-8-20-6-4-3-5-7-20)26-13-14-27-25-11-9-21-18-22(30)10-12-23(21)24(25)16-17-29(26,27)2/h3-7,18-19,23-27H,8-17H2,1-2H3/t19-,23+,24-,25-,26-,27+,29-/m1/s1
InChIKeyLHPBUFXEIOLURH-GQZONRFDSA-N
MW434.60 g/mol
LogP6.20
Rot. Bonds6

About Oxogestone phenpropionate

Oxogestone phenpropionate (PubChem CID 20055360) has the molecular formula C29H38O3 and a molecular weight of 434.60 g/mol. Its IUPAC name is [(1R)-1-[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] 3-phenylpropanoate.

Molecular Properties

Compound NameOxogestone phenpropionate
PubChem CID20055360
Molecular FormulaC29H38O3
Molecular Weight434.60 g/mol
Exact Mass434.28
IUPAC Name[(1R)-1-[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] 3-phenylpropanoate
SMILESC[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)OC(=O)CCC5=CC=CC=C5
InChIInChI=1S/C29H38O3/c1-19(32-28(31)15-8-20-6-4-3-5-7-20)26-13-14-27-25-11-9-21-18-22(30)10-12-23(21)24(25)16-17-29(26,27)2/h3-7,18-19,23-27H,8-17H2,1-2H3/t19-,23+,24-,25-,26-,27+,29-/m1/s1
InChIKeyLHPBUFXEIOLURH-GQZONRFDSA-N
XLogP6.20
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity748

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.60
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze Oxogestone phenpropionate 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

Nandrolone Phenylpropionate
CID 229455
Testosterone phenylpropionate
CID 14743
Dihydrotestosterone benzoate
CID 13987
Cholesteryl Benzoate
CID 2723613
Testosterone benzoate
CID 101474
(10R,13S,17S)-17-benzoyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
CID 9801369
(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-9-[3-(2-carboxyethyl)phenyl]-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid
CID 54759762
(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-9-[4-(2-carboxyethyl)phenyl]-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid
CID 54761941
(7R,8R,9S,10R,13S,14S)-10,13-dimethyl-7-(2-phenylethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
CID 68668617
Nandrolone benzoate
CID 227796
Testosterone Phenylacetate
CID 9931194
(7S,8R,9S,10R,13S,14S)-7-benzyl-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 9976841

Frequently Asked Questions

What is the IUPAC name of Oxogestone phenpropionate?
The IUPAC name of Oxogestone phenpropionate (CID 20055360) is [(1R)-1-[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] 3-phenylpropanoate.
What is the SMILES notation for Oxogestone phenpropionate?
The canonical SMILES for Oxogestone phenpropionate is C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)OC(=O)CCC5=CC=CC=C5.
What is the InChIKey of Oxogestone phenpropionate?
The InChIKey is LHPBUFXEIOLURH-GQZONRFDSA-N. The full InChI is InChI=1S/C29H38O3/c1-19(32-28(31)15-8-20-6-4-3-5-7-20)26-13-14-27-25-11-9-21-18-22(30)10-12-23(21)24(25)16-17-29(26,27)2/h3-7,18-19,23-27H,8-17H2,1-2H3/t19-,23+,24-,25-,26-,27+,29-/m1/s1.
What are the key properties of Oxogestone phenpropionate?
Oxogestone phenpropionate has a molecular weight of 434.60 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Oxogestone phenpropionate is sourced from PubChem (CID 20055360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).