8-methoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-1,9-diol

C15H26O3 — CID 121400218

IUPAC8-methoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-1,9-diol
SMILESCOC1CCCC2CC3CCCC(O)C3C(O)C21
InChIInChI=1S/C15H26O3/c1-18-12-7-3-5-10-8-9-4-2-6-11(16)13(9)15(17)14(10)12/h9-17H,2-8H2,1H3
InChIKeyLPVXPRUEINCTEW-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.96
Rot. Bonds1

About 8-methoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-1,9-diol

8-methoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-1,9-diol (PubChem CID 121400218) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 8-methoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-1,9-diol.

Molecular Properties

Compound Name8-methoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-1,9-diol
PubChem CID121400218
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name8-methoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-1,9-diol
SMILESCOC1CCCC2CC3CCCC(O)C3C(O)C21
InChIInChI=1S/C15H26O3/c1-18-12-7-3-5-10-8-9-4-2-6-11(16)13(9)15(17)14(10)12/h9-17H,2-8H2,1H3
InChIKeyLPVXPRUEINCTEW-UHFFFAOYSA-N
XLogP1.96
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-methoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-1,9-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 8-methoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-1,9-diol?
The IUPAC name of 8-methoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-1,9-diol (CID 121400218) is 8-methoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-1,9-diol.
What is the SMILES notation for 8-methoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-1,9-diol?
The canonical SMILES for 8-methoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-1,9-diol is COC1CCCC2CC3CCCC(O)C3C(O)C21.
What is the InChIKey of 8-methoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-1,9-diol?
The InChIKey is LPVXPRUEINCTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-18-12-7-3-5-10-8-9-4-2-6-11(16)13(9)15(17)14(10)12/h9-17H,2-8H2,1H3.
What are the key properties of 8-methoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-1,9-diol?
8-methoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-1,9-diol has a molecular weight of 254.37 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-1,9-diol is sourced from PubChem (CID 121400218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).