(2S,4aS,10aR)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol

C17H24O — CID 15139184

IUPAC(2S,4aS,10aR)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol
SMILESCC1(C)[C@@H](O)CC[C@]2(C)c3ccccc3CC[C@@H]12
InChIInChI=1S/C17H24O/c1-16(2)14-9-8-12-6-4-5-7-13(12)17(14,3)11-10-15(16)18/h4-7,14-15,18H,8-11H2,1-3H3/t14-,15-,17+/m0/s1
InChIKeyAWWWBLIRAJUXTH-YQQAZPJKSA-N
MW244.38 g/mol
LogP3.69
Rot. Bonds

About (2S,4aS,10aR)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol

(2S,4aS,10aR)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol (PubChem CID 15139184) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (2S,4aS,10aR)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol.

Molecular Properties

Compound Name(2S,4aS,10aR)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol
PubChem CID15139184
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(2S,4aS,10aR)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol
SMILESCC1(C)[C@@H](O)CC[C@]2(C)c3ccccc3CC[C@@H]12
InChIInChI=1S/C17H24O/c1-16(2)14-9-8-12-6-4-5-7-13(12)17(14,3)11-10-15(16)18/h4-7,14-15,18H,8-11H2,1-3H3/t14-,15-,17+/m0/s1
InChIKeyAWWWBLIRAJUXTH-YQQAZPJKSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,4aS,10aR)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4aS,10aR)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol?
The IUPAC name of (2S,4aS,10aR)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol (CID 15139184) is (2S,4aS,10aR)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol.
What is the SMILES notation for (2S,4aS,10aR)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol?
The canonical SMILES for (2S,4aS,10aR)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol is CC1(C)[C@@H](O)CC[C@]2(C)c3ccccc3CC[C@@H]12.
What is the InChIKey of (2S,4aS,10aR)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol?
The InChIKey is AWWWBLIRAJUXTH-YQQAZPJKSA-N. The full InChI is InChI=1S/C17H24O/c1-16(2)14-9-8-12-6-4-5-7-13(12)17(14,3)11-10-15(16)18/h4-7,14-15,18H,8-11H2,1-3H3/t14-,15-,17+/m0/s1.
What are the key properties of (2S,4aS,10aR)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol?
(2S,4aS,10aR)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol has a molecular weight of 244.38 g/mol, XLogP of 3.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aS,10aR)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol is sourced from PubChem (CID 15139184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).