20beta-Hydroxyprogesterone

C21H32O2 — CID 92747

IUPAC(8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SMILESC[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
InChIInChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16+,17-,18+,19+,20+,21-/m1/s1
InChIKeyRWBRUCCWZPSBFC-SJOKZOANSA-N
MW316.50 g/mol
LogP4.20
Rot. Bonds1

About 20beta-Hydroxyprogesterone

20beta-Hydroxyprogesterone (PubChem CID 92747) has the molecular formula C21H32O2 and a molecular weight of 316.50 g/mol. Its IUPAC name is (8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.

Molecular Properties

Compound Name20beta-Hydroxyprogesterone
PubChem CID92747
Molecular FormulaC21H32O2
Molecular Weight316.50 g/mol
Exact Mass316.24
IUPAC Name(8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SMILESC[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
InChIInChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16+,17-,18+,19+,20+,21-/m1/s1
InChIKeyRWBRUCCWZPSBFC-SJOKZOANSA-N
XLogP4.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity550

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 20beta-Hydroxyprogesterone 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 20beta-Hydroxyprogesterone?
The IUPAC name of 20beta-Hydroxyprogesterone (CID 92747) is (8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
What is the SMILES notation for 20beta-Hydroxyprogesterone?
The canonical SMILES for 20beta-Hydroxyprogesterone is C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O.
What is the InChIKey of 20beta-Hydroxyprogesterone?
The InChIKey is RWBRUCCWZPSBFC-SJOKZOANSA-N. The full InChI is InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16+,17-,18+,19+,20+,21-/m1/s1.
What are the key properties of 20beta-Hydroxyprogesterone?
20beta-Hydroxyprogesterone has a molecular weight of 316.50 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20beta-Hydroxyprogesterone is sourced from PubChem (CID 92747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).