1,4,5-trihydroxy-2-methylanthracene-9,10-dione

C15H10O5 — CID 10151

IUPAC1,4,5-trihydroxy-2-methylanthracene-9,10-dione
SMILESCc1cc(O)c2c(c1O)C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/C15H10O5/c1-6-5-9(17)11-12(13(6)18)14(19)7-3-2-4-8(16)10(7)15(11)20/h2-5,16-18H,1H3
InChIKeyFHFHNVHRVKQQHN-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.89
Rot. Bonds

About 1,4,5-trihydroxy-2-methylanthracene-9,10-dione

1,4,5-trihydroxy-2-methylanthracene-9,10-dione (PubChem CID 10151) has the molecular formula C15H10O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 1,4,5-trihydroxy-2-methylanthracene-9,10-dione.

Molecular Properties

Compound Name1,4,5-trihydroxy-2-methylanthracene-9,10-dione
PubChem CID10151
Molecular FormulaC15H10O5
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Name1,4,5-trihydroxy-2-methylanthracene-9,10-dione
SMILESCc1cc(O)c2c(c1O)C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/C15H10O5/c1-6-5-9(17)11-12(13(6)18)14(19)7-3-2-4-8(16)10(7)15(11)20/h2-5,16-18H,1H3
InChIKeyFHFHNVHRVKQQHN-UHFFFAOYSA-N
XLogP1.89
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4,5-trihydroxy-2-methylanthracene-9,10-dione?
The IUPAC name of 1,4,5-trihydroxy-2-methylanthracene-9,10-dione (CID 10151) is 1,4,5-trihydroxy-2-methylanthracene-9,10-dione.
What is the SMILES notation for 1,4,5-trihydroxy-2-methylanthracene-9,10-dione?
The canonical SMILES for 1,4,5-trihydroxy-2-methylanthracene-9,10-dione is Cc1cc(O)c2c(c1O)C(=O)c1cccc(O)c1C2=O.
What is the InChIKey of 1,4,5-trihydroxy-2-methylanthracene-9,10-dione?
The InChIKey is FHFHNVHRVKQQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5/c1-6-5-9(17)11-12(13(6)18)14(19)7-3-2-4-8(16)10(7)15(11)20/h2-5,16-18H,1H3.
What are the key properties of 1,4,5-trihydroxy-2-methylanthracene-9,10-dione?
1,4,5-trihydroxy-2-methylanthracene-9,10-dione has a molecular weight of 270.24 g/mol, XLogP of 1.89, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trihydroxy-2-methylanthracene-9,10-dione is sourced from PubChem (CID 10151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).