(3R,4R)-11-methyl-4,15,16,17-tetrahydro-3H-cyclopenta[a]phenanthrene-3,4-diol

C18H18O2 — CID 11777698

IUPAC(3R,4R)-11-methyl-4,15,16,17-tetrahydro-3H-cyclopenta[a]phenanthrene-3,4-diol
SMILESCc1cc2c(c3ccc4c(c13)C=C[C@@H](O)[C@@H]4O)CCC2
InChIInChI=1S/C18H18O2/c1-10-9-11-3-2-4-12(11)13-5-6-15-14(17(10)13)7-8-16(19)18(15)20/h5-9,16,18-20H,2-4H2,1H3/t16-,18-/m1/s1
InChIKeyHHXHJJOIZGRSCE-SJLPKXTDSA-N
MW266.34 g/mol
LogP3.06
Rot. Bonds

About (3R,4R)-11-methyl-4,15,16,17-tetrahydro-3H-cyclopenta[a]phenanthrene-3,4-diol

(3R,4R)-11-methyl-4,15,16,17-tetrahydro-3H-cyclopenta[a]phenanthrene-3,4-diol (PubChem CID 11777698) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (3R,4R)-11-methyl-4,15,16,17-tetrahydro-3H-cyclopenta[a]phenanthrene-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-11-methyl-4,15,16,17-tetrahydro-3H-cyclopenta[a]phenanthrene-3,4-diol
PubChem CID11777698
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(3R,4R)-11-methyl-4,15,16,17-tetrahydro-3H-cyclopenta[a]phenanthrene-3,4-diol
SMILESCc1cc2c(c3ccc4c(c13)C=C[C@@H](O)[C@@H]4O)CCC2
InChIInChI=1S/C18H18O2/c1-10-9-11-3-2-4-12(11)13-5-6-15-14(17(10)13)7-8-16(19)18(15)20/h5-9,16,18-20H,2-4H2,1H3/t16-,18-/m1/s1
InChIKeyHHXHJJOIZGRSCE-SJLPKXTDSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R,4R)-11-methyl-4,15,16,17-tetrahydro-3H-cyclopenta[a]phenanthrene-3,4-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 (3R,4R)-11-methyl-4,15,16,17-tetrahydro-3H-cyclopenta[a]phenanthrene-3,4-diol?
The IUPAC name of (3R,4R)-11-methyl-4,15,16,17-tetrahydro-3H-cyclopenta[a]phenanthrene-3,4-diol (CID 11777698) is (3R,4R)-11-methyl-4,15,16,17-tetrahydro-3H-cyclopenta[a]phenanthrene-3,4-diol.
What is the SMILES notation for (3R,4R)-11-methyl-4,15,16,17-tetrahydro-3H-cyclopenta[a]phenanthrene-3,4-diol?
The canonical SMILES for (3R,4R)-11-methyl-4,15,16,17-tetrahydro-3H-cyclopenta[a]phenanthrene-3,4-diol is Cc1cc2c(c3ccc4c(c13)C=C[C@@H](O)[C@@H]4O)CCC2.
What is the InChIKey of (3R,4R)-11-methyl-4,15,16,17-tetrahydro-3H-cyclopenta[a]phenanthrene-3,4-diol?
The InChIKey is HHXHJJOIZGRSCE-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H18O2/c1-10-9-11-3-2-4-12(11)13-5-6-15-14(17(10)13)7-8-16(19)18(15)20/h5-9,16,18-20H,2-4H2,1H3/t16-,18-/m1/s1.
What are the key properties of (3R,4R)-11-methyl-4,15,16,17-tetrahydro-3H-cyclopenta[a]phenanthrene-3,4-diol?
(3R,4R)-11-methyl-4,15,16,17-tetrahydro-3H-cyclopenta[a]phenanthrene-3,4-diol has a molecular weight of 266.34 g/mol, XLogP of 3.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-11-methyl-4,15,16,17-tetrahydro-3H-cyclopenta[a]phenanthrene-3,4-diol is sourced from PubChem (CID 11777698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).