5-(1-methoxyethyl)-1-methyl-9,10-dihydrophenanthrene-2,7-diol

C18H20O3 — CID 122232270

IUPAC5-(1-methoxyethyl)-1-methyl-9,10-dihydrophenanthrene-2,7-diol
SMILESCOC(C)c1cc(O)cc2c1-c1ccc(O)c(C)c1CC2
InChIInChI=1S/C18H20O3/c1-10-14-5-4-12-8-13(19)9-16(11(2)21-3)18(12)15(14)6-7-17(10)20/h6-9,11,19-20H,4-5H2,1-3H3
InChIKeyGLKYZNQTRHKASO-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.88
Rot. Bonds2

About 5-(1-methoxyethyl)-1-methyl-9,10-dihydrophenanthrene-2,7-diol

5-(1-methoxyethyl)-1-methyl-9,10-dihydrophenanthrene-2,7-diol (PubChem CID 122232270) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(1-methoxyethyl)-1-methyl-9,10-dihydrophenanthrene-2,7-diol.

Molecular Properties

Compound Name5-(1-methoxyethyl)-1-methyl-9,10-dihydrophenanthrene-2,7-diol
PubChem CID122232270
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name5-(1-methoxyethyl)-1-methyl-9,10-dihydrophenanthrene-2,7-diol
SMILESCOC(C)c1cc(O)cc2c1-c1ccc(O)c(C)c1CC2
InChIInChI=1S/C18H20O3/c1-10-14-5-4-12-8-13(19)9-16(11(2)21-3)18(12)15(14)6-7-17(10)20/h6-9,11,19-20H,4-5H2,1-3H3
InChIKeyGLKYZNQTRHKASO-UHFFFAOYSA-N
XLogP3.88
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(1-methoxyethyl)-1-methyl-9,10-dihydrophenanthrene-2,7-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 5-(1-methoxyethyl)-1-methyl-9,10-dihydrophenanthrene-2,7-diol?
The IUPAC name of 5-(1-methoxyethyl)-1-methyl-9,10-dihydrophenanthrene-2,7-diol (CID 122232270) is 5-(1-methoxyethyl)-1-methyl-9,10-dihydrophenanthrene-2,7-diol.
What is the SMILES notation for 5-(1-methoxyethyl)-1-methyl-9,10-dihydrophenanthrene-2,7-diol?
The canonical SMILES for 5-(1-methoxyethyl)-1-methyl-9,10-dihydrophenanthrene-2,7-diol is COC(C)c1cc(O)cc2c1-c1ccc(O)c(C)c1CC2.
What is the InChIKey of 5-(1-methoxyethyl)-1-methyl-9,10-dihydrophenanthrene-2,7-diol?
The InChIKey is GLKYZNQTRHKASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-10-14-5-4-12-8-13(19)9-16(11(2)21-3)18(12)15(14)6-7-17(10)20/h6-9,11,19-20H,4-5H2,1-3H3.
What are the key properties of 5-(1-methoxyethyl)-1-methyl-9,10-dihydrophenanthrene-2,7-diol?
5-(1-methoxyethyl)-1-methyl-9,10-dihydrophenanthrene-2,7-diol has a molecular weight of 284.36 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyethyl)-1-methyl-9,10-dihydrophenanthrene-2,7-diol is sourced from PubChem (CID 122232270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).