1,2,5,8-tetrahydroxy-10H-anthracen-9-one

C14H10O5 — CID 169084533

IUPAC1,2,5,8-tetrahydroxy-10H-anthracen-9-one
SMILESO=C1c2c(ccc(O)c2O)Cc2c(O)ccc(O)c21
InChIInChI=1S/C14H10O5/c15-8-3-4-9(16)12-7(8)5-6-1-2-10(17)13(18)11(6)14(12)19/h1-4,15-18H,5H2
InChIKeyWAWRMPSOOICKOB-UHFFFAOYSA-N
MW258.23 g/mol
LogP1.64
Rot. Bonds

About 1,2,5,8-tetrahydroxy-10H-anthracen-9-one

1,2,5,8-tetrahydroxy-10H-anthracen-9-one (PubChem CID 169084533) has the molecular formula C14H10O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is 1,2,5,8-tetrahydroxy-10H-anthracen-9-one.

Molecular Properties

Compound Name1,2,5,8-tetrahydroxy-10H-anthracen-9-one
PubChem CID169084533
Molecular FormulaC14H10O5
Molecular Weight258.23 g/mol
Exact Mass258.05
IUPAC Name1,2,5,8-tetrahydroxy-10H-anthracen-9-one
SMILESO=C1c2c(ccc(O)c2O)Cc2c(O)ccc(O)c21
InChIInChI=1S/C14H10O5/c15-8-3-4-9(16)12-7(8)5-6-1-2-10(17)13(18)11(6)14(12)19/h1-4,15-18H,5H2
InChIKeyWAWRMPSOOICKOB-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

CID 175981713
CID 175981713
1,8-dihydroxy-2,7-di(propan-2-yl)-10H-anthracen-9-one
CID 20542345
4-dodecyl-1,8-dihydroxy-10H-anthracen-9-one
CID 20542347
4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]benzoic acid
CID 10428583
4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 142874323
1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;sulfane
CID 134611635
methyl 4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]benzoate
CID 10044926
1,2,3,4-tetrahydroxy-10H-anthracen-9-one
CID 91457355
(10R)-10-(1,8-dihydroxy-6-methyl-9-oxo-10H-anthracen-2-yl)-1,8,10-trihydroxy-3-methylanthracen-9-one
CID 163004894
1,5-diamino-4,8-dihydroxyanthracene-9,10-dione;hydrochloride
CID 68949562
1,5,8-trihydroxy-9,10-dioxoanthracene-2-sulfonic acid
CID 87810234
4-(2,3,6-trihydroxyphenyl)benzene-1,2,3-triol
CID 141142234

Frequently Asked Questions

What is the IUPAC name of 1,2,5,8-tetrahydroxy-10H-anthracen-9-one?
The IUPAC name of 1,2,5,8-tetrahydroxy-10H-anthracen-9-one (CID 169084533) is 1,2,5,8-tetrahydroxy-10H-anthracen-9-one.
What is the SMILES notation for 1,2,5,8-tetrahydroxy-10H-anthracen-9-one?
The canonical SMILES for 1,2,5,8-tetrahydroxy-10H-anthracen-9-one is O=C1c2c(ccc(O)c2O)Cc2c(O)ccc(O)c21.
What is the InChIKey of 1,2,5,8-tetrahydroxy-10H-anthracen-9-one?
The InChIKey is WAWRMPSOOICKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5/c15-8-3-4-9(16)12-7(8)5-6-1-2-10(17)13(18)11(6)14(12)19/h1-4,15-18H,5H2.
What are the key properties of 1,2,5,8-tetrahydroxy-10H-anthracen-9-one?
1,2,5,8-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 1,2,5,8-tetrahydroxy-10H-anthracen-9-one is sourced from PubChem (CID 169084533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).