1,2,3,4-tetrahydroxy-10H-anthracen-9-one

C14H10O5 — CID 91457355

IUPAC1,2,3,4-tetrahydroxy-10H-anthracen-9-one
SMILESO=C1c2ccccc2Cc2c(O)c(O)c(O)c(O)c21
InChIInChI=1S/C14H10O5/c15-10-7-4-2-1-3-6(7)5-8-9(10)12(17)14(19)13(18)11(8)16/h1-4,16-19H,5H2
InChIKeyUJJXSZLNJPOPBB-UHFFFAOYSA-N
MW258.23 g/mol
LogP1.64
Rot. Bonds

About 1,2,3,4-tetrahydroxy-10H-anthracen-9-one

1,2,3,4-tetrahydroxy-10H-anthracen-9-one (PubChem CID 91457355) has the molecular formula C14H10O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroxy-10H-anthracen-9-one.

Molecular Properties

Compound Name1,2,3,4-tetrahydroxy-10H-anthracen-9-one
PubChem CID91457355
Molecular FormulaC14H10O5
Molecular Weight258.23 g/mol
Exact Mass258.05
IUPAC Name1,2,3,4-tetrahydroxy-10H-anthracen-9-one
SMILESO=C1c2ccccc2Cc2c(O)c(O)c(O)c(O)c21
InChIInChI=1S/C14H10O5/c15-10-7-4-2-1-3-6(7)5-8-9(10)12(17)14(19)13(18)11(8)16/h1-4,16-19H,5H2
InChIKeyUJJXSZLNJPOPBB-UHFFFAOYSA-N
XLogP1.64
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid
CID 19860324
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
10H-anthracen-9-one;ethane;methanol
CID 90976205
1-(9H-fluoren-1-yl)anthracene-9,10-dione
CID 141480667
10H-anthracen-9-one;fluoren-9-one
CID 67642372
1-amino-4-methyl-10H-anthracen-9-one
CID 163804927
2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one
CID 100914038
10-oxo-1,4-bis(sulfanyl)-9H-anthracene-2,3-dicarbonitrile
CID 140979793
3-ethyl-1-hydroxy-10H-anthracen-9-one
CID 58923362
2,5-dideuterio-1-hydroxy-10H-anthracen-9-one
CID 175725156
1-hydroxy-2-pentyl-10H-anthracen-9-one
CID 175148432
(12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate
CID 134120096

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroxy-10H-anthracen-9-one?
The IUPAC name of 1,2,3,4-tetrahydroxy-10H-anthracen-9-one (CID 91457355) is 1,2,3,4-tetrahydroxy-10H-anthracen-9-one.
What is the SMILES notation for 1,2,3,4-tetrahydroxy-10H-anthracen-9-one?
The canonical SMILES for 1,2,3,4-tetrahydroxy-10H-anthracen-9-one is O=C1c2ccccc2Cc2c(O)c(O)c(O)c(O)c21.
What is the InChIKey of 1,2,3,4-tetrahydroxy-10H-anthracen-9-one?
The InChIKey is UJJXSZLNJPOPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5/c15-10-7-4-2-1-3-6(7)5-8-9(10)12(17)14(19)13(18)11(8)16/h1-4,16-19H,5H2.
What are the key properties of 1,2,3,4-tetrahydroxy-10H-anthracen-9-one?
1,2,3,4-tetrahydroxy-10H-anthracen-9-one has a molecular weight of 258.23 g/mol, XLogP of 1.64, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroxy-10H-anthracen-9-one is sourced from PubChem (CID 91457355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).