(2'R,16S,17S)-2'-methylspiro[15,16-dihydrocyclopenta[a]phenanthrene-17,1'-cyclopropane]-2,16-diol

C20H18O2 — CID 102228006

IUPAC(2'R,16S,17S)-2'-methylspiro[15,16-dihydrocyclopenta[a]phenanthrene-17,1'-cyclopropane]-2,16-diol
SMILESC[C@@H]1C[C@@]12c1ccc3c(ccc4ccc(O)cc43)c1C[C@@H]2O
InChIInChI=1S/C20H18O2/c1-11-10-20(11)18-7-6-14-15(17(18)9-19(20)22)5-3-12-2-4-13(21)8-16(12)14/h2-8,11,19,21-22H,9-10H2,1H3/t11-,19+,20+/m1/s1
InChIKeyPRRJPKJJZIGPIA-WFRWYCSKSA-N
MW290.36 g/mol
LogP3.89
Rot. Bonds

About (2'R,16S,17S)-2'-methylspiro[15,16-dihydrocyclopenta[a]phenanthrene-17,1'-cyclopropane]-2,16-diol

(2'R,16S,17S)-2'-methylspiro[15,16-dihydrocyclopenta[a]phenanthrene-17,1'-cyclopropane]-2,16-diol (PubChem CID 102228006) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2'R,16S,17S)-2'-methylspiro[15,16-dihydrocyclopenta[a]phenanthrene-17,1'-cyclopropane]-2,16-diol.

Molecular Properties

Compound Name(2'R,16S,17S)-2'-methylspiro[15,16-dihydrocyclopenta[a]phenanthrene-17,1'-cyclopropane]-2,16-diol
PubChem CID102228006
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name(2'R,16S,17S)-2'-methylspiro[15,16-dihydrocyclopenta[a]phenanthrene-17,1'-cyclopropane]-2,16-diol
SMILESC[C@@H]1C[C@@]12c1ccc3c(ccc4ccc(O)cc43)c1C[C@@H]2O
InChIInChI=1S/C20H18O2/c1-11-10-20(11)18-7-6-14-15(17(18)9-19(20)22)5-3-12-2-4-13(21)8-16(12)14/h2-8,11,19,21-22H,9-10H2,1H3/t11-,19+,20+/m1/s1
InChIKeyPRRJPKJJZIGPIA-WFRWYCSKSA-N
XLogP3.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (2'R,16S,17S)-2'-methylspiro[15,16-dihydrocyclopenta[a]phenanthrene-17,1'-cyclopropane]-2,16-diol 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 (2'R,16S,17S)-2'-methylspiro[15,16-dihydrocyclopenta[a]phenanthrene-17,1'-cyclopropane]-2,16-diol?
The IUPAC name of (2'R,16S,17S)-2'-methylspiro[15,16-dihydrocyclopenta[a]phenanthrene-17,1'-cyclopropane]-2,16-diol (CID 102228006) is (2'R,16S,17S)-2'-methylspiro[15,16-dihydrocyclopenta[a]phenanthrene-17,1'-cyclopropane]-2,16-diol.
What is the SMILES notation for (2'R,16S,17S)-2'-methylspiro[15,16-dihydrocyclopenta[a]phenanthrene-17,1'-cyclopropane]-2,16-diol?
The canonical SMILES for (2'R,16S,17S)-2'-methylspiro[15,16-dihydrocyclopenta[a]phenanthrene-17,1'-cyclopropane]-2,16-diol is C[C@@H]1C[C@@]12c1ccc3c(ccc4ccc(O)cc43)c1C[C@@H]2O.
What is the InChIKey of (2'R,16S,17S)-2'-methylspiro[15,16-dihydrocyclopenta[a]phenanthrene-17,1'-cyclopropane]-2,16-diol?
The InChIKey is PRRJPKJJZIGPIA-WFRWYCSKSA-N. The full InChI is InChI=1S/C20H18O2/c1-11-10-20(11)18-7-6-14-15(17(18)9-19(20)22)5-3-12-2-4-13(21)8-16(12)14/h2-8,11,19,21-22H,9-10H2,1H3/t11-,19+,20+/m1/s1.
What are the key properties of (2'R,16S,17S)-2'-methylspiro[15,16-dihydrocyclopenta[a]phenanthrene-17,1'-cyclopropane]-2,16-diol?
(2'R,16S,17S)-2'-methylspiro[15,16-dihydrocyclopenta[a]phenanthrene-17,1'-cyclopropane]-2,16-diol has a molecular weight of 290.36 g/mol, XLogP of 3.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,16S,17S)-2'-methylspiro[15,16-dihydrocyclopenta[a]phenanthrene-17,1'-cyclopropane]-2,16-diol is sourced from PubChem (CID 102228006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).