3-hydroxytetracene-1,2,4-trione

C18H10O4 — CID 54358442

IUPAC3-hydroxytetracene-1,2,4-trione
SMILESO=C1C(=O)C(O)C(=O)c2cc3cc4ccccc4cc3cc21
InChIInChI=1S/C18H10O4/c19-15-13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14(13)16(20)18(22)17(15)21/h1-8,17,21H
InChIKeyUKTRIDLPWWUSQY-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.30
Rot. Bonds

About 3-hydroxytetracene-1,2,4-trione

3-hydroxytetracene-1,2,4-trione (PubChem CID 54358442) has the molecular formula C18H10O4 and a molecular weight of 290.27 g/mol. Its IUPAC name is 3-hydroxytetracene-1,2,4-trione.

Molecular Properties

Compound Name3-hydroxytetracene-1,2,4-trione
PubChem CID54358442
Molecular FormulaC18H10O4
Molecular Weight290.27 g/mol
Exact Mass290.06
IUPAC Name3-hydroxytetracene-1,2,4-trione
SMILESO=C1C(=O)C(O)C(=O)c2cc3cc4ccccc4cc3cc21
InChIInChI=1S/C18H10O4/c19-15-13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14(13)16(20)18(22)17(15)21/h1-8,17,21H
InChIKeyUKTRIDLPWWUSQY-UHFFFAOYSA-N
XLogP2.30
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxytetracene-1,2,4-trione?
The IUPAC name of 3-hydroxytetracene-1,2,4-trione (CID 54358442) is 3-hydroxytetracene-1,2,4-trione.
What is the SMILES notation for 3-hydroxytetracene-1,2,4-trione?
The canonical SMILES for 3-hydroxytetracene-1,2,4-trione is O=C1C(=O)C(O)C(=O)c2cc3cc4ccccc4cc3cc21.
What is the InChIKey of 3-hydroxytetracene-1,2,4-trione?
The InChIKey is UKTRIDLPWWUSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O4/c19-15-13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14(13)16(20)18(22)17(15)21/h1-8,17,21H.
What are the key properties of 3-hydroxytetracene-1,2,4-trione?
3-hydroxytetracene-1,2,4-trione has a molecular weight of 290.27 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxytetracene-1,2,4-trione is sourced from PubChem (CID 54358442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).