1,8-dihydroxy-3-methylanthracene-9,10-dione

C15H10O4 — CID 10208

IUPAC1,8-dihydroxy-3-methylanthracene-9,10-dione
SMILESCc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
InChIKeyLQGUBLBATBMXHT-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.18
Rot. Bonds

About 1,8-dihydroxy-3-methylanthracene-9,10-dione

1,8-dihydroxy-3-methylanthracene-9,10-dione (PubChem CID 10208) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 1,8-dihydroxy-3-methylanthracene-9,10-dione.

Molecular Properties

Compound Name1,8-dihydroxy-3-methylanthracene-9,10-dione
PubChem CID10208
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name1,8-dihydroxy-3-methylanthracene-9,10-dione
SMILESCc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
InChIKeyLQGUBLBATBMXHT-UHFFFAOYSA-N
XLogP2.18
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxy-3-methylanthracene-9,10-dione?
The IUPAC name of 1,8-dihydroxy-3-methylanthracene-9,10-dione (CID 10208) is 1,8-dihydroxy-3-methylanthracene-9,10-dione.
What is the SMILES notation for 1,8-dihydroxy-3-methylanthracene-9,10-dione?
The canonical SMILES for 1,8-dihydroxy-3-methylanthracene-9,10-dione is Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O.
What is the InChIKey of 1,8-dihydroxy-3-methylanthracene-9,10-dione?
The InChIKey is LQGUBLBATBMXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3.
What are the key properties of 1,8-dihydroxy-3-methylanthracene-9,10-dione?
1,8-dihydroxy-3-methylanthracene-9,10-dione has a molecular weight of 254.24 g/mol, XLogP of 2.18, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxy-3-methylanthracene-9,10-dione is sourced from PubChem (CID 10208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).