2-methyl-8-methylsulfanylphenanthrene-1,7-diol

C16H14O2S — CID 162938973

IUPAC2-methyl-8-methylsulfanylphenanthrene-1,7-diol
SMILESCSc1c(O)ccc2c1ccc1c(O)c(C)ccc12
InChIInChI=1S/C16H14O2S/c1-9-3-4-10-11-7-8-14(17)16(19-2)13(11)6-5-12(10)15(9)18/h3-8,17-18H,1-2H3
InChIKeyHAKVMAYCRPPRSH-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.43
Rot. Bonds1

About 2-methyl-8-methylsulfanylphenanthrene-1,7-diol

2-methyl-8-methylsulfanylphenanthrene-1,7-diol (PubChem CID 162938973) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-methyl-8-methylsulfanylphenanthrene-1,7-diol.

Molecular Properties

Compound Name2-methyl-8-methylsulfanylphenanthrene-1,7-diol
PubChem CID162938973
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name2-methyl-8-methylsulfanylphenanthrene-1,7-diol
SMILESCSc1c(O)ccc2c1ccc1c(O)c(C)ccc12
InChIInChI=1S/C16H14O2S/c1-9-3-4-10-11-7-8-14(17)16(19-2)13(11)6-5-12(10)15(9)18/h3-8,17-18H,1-2H3
InChIKeyHAKVMAYCRPPRSH-UHFFFAOYSA-N
XLogP4.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-8-methylsulfanylphenanthrene-1,7-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 2-methyl-8-methylsulfanylphenanthrene-1,7-diol?
The IUPAC name of 2-methyl-8-methylsulfanylphenanthrene-1,7-diol (CID 162938973) is 2-methyl-8-methylsulfanylphenanthrene-1,7-diol.
What is the SMILES notation for 2-methyl-8-methylsulfanylphenanthrene-1,7-diol?
The canonical SMILES for 2-methyl-8-methylsulfanylphenanthrene-1,7-diol is CSc1c(O)ccc2c1ccc1c(O)c(C)ccc12.
What is the InChIKey of 2-methyl-8-methylsulfanylphenanthrene-1,7-diol?
The InChIKey is HAKVMAYCRPPRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S/c1-9-3-4-10-11-7-8-14(17)16(19-2)13(11)6-5-12(10)15(9)18/h3-8,17-18H,1-2H3.
What are the key properties of 2-methyl-8-methylsulfanylphenanthrene-1,7-diol?
2-methyl-8-methylsulfanylphenanthrene-1,7-diol has a molecular weight of 270.35 g/mol, XLogP of 4.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-methylsulfanylphenanthrene-1,7-diol is sourced from PubChem (CID 162938973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).