5-hydroxy-2-methylnaphthalene-1,4-dione

C11H8O3 — CID 10205

IUPAC5-hydroxy-2-methylnaphthalene-1,4-dione
SMILESCC1=CC(=O)c2c(O)cccc2C1=O
InChIInChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
InChIKeyVCMMXZQDRFWYSE-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.72
Rot. Bonds

About 5-hydroxy-2-methylnaphthalene-1,4-dione

5-hydroxy-2-methylnaphthalene-1,4-dione (PubChem CID 10205) has the molecular formula C11H8O3 and a molecular weight of 188.18 g/mol. Its IUPAC name is 5-hydroxy-2-methylnaphthalene-1,4-dione.

Molecular Properties

Compound Name5-hydroxy-2-methylnaphthalene-1,4-dione
PubChem CID10205
Molecular FormulaC11H8O3
Molecular Weight188.18 g/mol
Exact Mass188.05
IUPAC Name5-hydroxy-2-methylnaphthalene-1,4-dione
SMILESCC1=CC(=O)c2c(O)cccc2C1=O
InChIInChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
InChIKeyVCMMXZQDRFWYSE-UHFFFAOYSA-N
XLogP1.72
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_D(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methylnaphthalene-1,4-dione?
The IUPAC name of 5-hydroxy-2-methylnaphthalene-1,4-dione (CID 10205) is 5-hydroxy-2-methylnaphthalene-1,4-dione.
What is the SMILES notation for 5-hydroxy-2-methylnaphthalene-1,4-dione?
The canonical SMILES for 5-hydroxy-2-methylnaphthalene-1,4-dione is CC1=CC(=O)c2c(O)cccc2C1=O.
What is the InChIKey of 5-hydroxy-2-methylnaphthalene-1,4-dione?
The InChIKey is VCMMXZQDRFWYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3.
What are the key properties of 5-hydroxy-2-methylnaphthalene-1,4-dione?
5-hydroxy-2-methylnaphthalene-1,4-dione has a molecular weight of 188.18 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methylnaphthalene-1,4-dione is sourced from PubChem (CID 10205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).