(8R,9S,10R,13R,14S)-13-methyl-2,3,4,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-5-ol

C18H28O — CID 67724725

IUPAC(8R,9S,10R,13R,14S)-13-methyl-2,3,4,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-5-ol
SMILESC[C@@]12C=CC[C@H]1[C@@H]1CCC3(O)CCCC[C@@H]3[C@H]1CC2
InChIInChI=1S/C18H28O/c1-17-9-4-6-15(17)13-8-12-18(19)10-3-2-5-16(18)14(13)7-11-17/h4,9,13-16,19H,2-3,5-8,10-12H2,1H3/t13-,14+,15+,16-,17+,18?/m1/s1
InChIKeyGXTIZIBWCUUZSN-PPRNGETMSA-N
MW260.42 g/mol
LogP4.31
Rot. Bonds

About (8R,9S,10R,13R,14S)-13-methyl-2,3,4,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-5-ol

(8R,9S,10R,13R,14S)-13-methyl-2,3,4,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-5-ol (PubChem CID 67724725) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is (8R,9S,10R,13R,14S)-13-methyl-2,3,4,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-5-ol.

Molecular Properties

Compound Name(8R,9S,10R,13R,14S)-13-methyl-2,3,4,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-5-ol
PubChem CID67724725
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name(8R,9S,10R,13R,14S)-13-methyl-2,3,4,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-5-ol
SMILESC[C@@]12C=CC[C@H]1[C@@H]1CCC3(O)CCCC[C@@H]3[C@H]1CC2
InChIInChI=1S/C18H28O/c1-17-9-4-6-15(17)13-8-12-18(19)10-3-2-5-16(18)14(13)7-11-17/h4,9,13-16,19H,2-3,5-8,10-12H2,1H3/t13-,14+,15+,16-,17+,18?/m1/s1
InChIKeyGXTIZIBWCUUZSN-PPRNGETMSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (8R,9S,10R,13R,14S)-13-methyl-2,3,4,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-5-ol 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 (8R,9S,10R,13R,14S)-13-methyl-2,3,4,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-5-ol?
The IUPAC name of (8R,9S,10R,13R,14S)-13-methyl-2,3,4,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-5-ol (CID 67724725) is (8R,9S,10R,13R,14S)-13-methyl-2,3,4,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-5-ol.
What is the SMILES notation for (8R,9S,10R,13R,14S)-13-methyl-2,3,4,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-5-ol?
The canonical SMILES for (8R,9S,10R,13R,14S)-13-methyl-2,3,4,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-5-ol is C[C@@]12C=CC[C@H]1[C@@H]1CCC3(O)CCCC[C@@H]3[C@H]1CC2.
What is the InChIKey of (8R,9S,10R,13R,14S)-13-methyl-2,3,4,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-5-ol?
The InChIKey is GXTIZIBWCUUZSN-PPRNGETMSA-N. The full InChI is InChI=1S/C18H28O/c1-17-9-4-6-15(17)13-8-12-18(19)10-3-2-5-16(18)14(13)7-11-17/h4,9,13-16,19H,2-3,5-8,10-12H2,1H3/t13-,14+,15+,16-,17+,18?/m1/s1.
What are the key properties of (8R,9S,10R,13R,14S)-13-methyl-2,3,4,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-5-ol?
(8R,9S,10R,13R,14S)-13-methyl-2,3,4,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-5-ol has a molecular weight of 260.42 g/mol, XLogP of 4.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9S,10R,13R,14S)-13-methyl-2,3,4,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-5-ol is sourced from PubChem (CID 67724725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).