3-methylanthracene-1,8,9-triol

C15H12O3 — CID 10288

IUPAC3-methylanthracene-1,8,9-triol
SMILESCc1cc(O)c2c(O)c3c(O)cccc3cc2c1
InChIInChI=1S/C15H12O3/c1-8-5-10-7-9-3-2-4-11(16)13(9)15(18)14(10)12(17)6-8/h2-7,16-18H,1H3
InChIKeyJBGKVNQFVAJOGC-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.42
Rot. Bonds

About 3-methylanthracene-1,8,9-triol

3-methylanthracene-1,8,9-triol (PubChem CID 10288) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-methylanthracene-1,8,9-triol.

Molecular Properties

Compound Name3-methylanthracene-1,8,9-triol
PubChem CID10288
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name3-methylanthracene-1,8,9-triol
SMILESCc1cc(O)c2c(O)c3c(O)cccc3cc2c1
InChIInChI=1S/C15H12O3/c1-8-5-10-7-9-3-2-4-11(16)13(9)15(18)14(10)12(17)6-8/h2-7,16-18H,1H3
InChIKeyJBGKVNQFVAJOGC-UHFFFAOYSA-N
XLogP3.42
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylanthracene-1,8,9-triol?
The IUPAC name of 3-methylanthracene-1,8,9-triol (CID 10288) is 3-methylanthracene-1,8,9-triol.
What is the SMILES notation for 3-methylanthracene-1,8,9-triol?
The canonical SMILES for 3-methylanthracene-1,8,9-triol is Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1.
What is the InChIKey of 3-methylanthracene-1,8,9-triol?
The InChIKey is JBGKVNQFVAJOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-8-5-10-7-9-3-2-4-11(16)13(9)15(18)14(10)12(17)6-8/h2-7,16-18H,1H3.
What are the key properties of 3-methylanthracene-1,8,9-triol?
3-methylanthracene-1,8,9-triol has a molecular weight of 240.26 g/mol, XLogP of 3.42, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylanthracene-1,8,9-triol is sourced from PubChem (CID 10288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).