3,4,6,7,9-pentahydroxyphenalen-1-one

C13H8O6 — CID 125489226

IUPAC3,4,6,7,9-pentahydroxyphenalen-1-one
SMILESO=C1C=C(O)c2c(O)cc(O)c3c(O)cc(O)c1c23
InChIInChI=1S/C13H8O6/c14-4-1-5(15)11-7(17)3-9(19)12-8(18)2-6(16)10(4)13(11)12/h1-3,14-18H
InChIKeyIXKHVRYPGBLTEA-UHFFFAOYSA-N
MW260.20 g/mol
LogP1.76
Rot. Bonds

About 3,4,6,7,9-pentahydroxyphenalen-1-one

3,4,6,7,9-pentahydroxyphenalen-1-one (PubChem CID 125489226) has the molecular formula C13H8O6 and a molecular weight of 260.20 g/mol. Its IUPAC name is 3,4,6,7,9-pentahydroxyphenalen-1-one.

Molecular Properties

Compound Name3,4,6,7,9-pentahydroxyphenalen-1-one
PubChem CID125489226
Molecular FormulaC13H8O6
Molecular Weight260.20 g/mol
Exact Mass260.03
IUPAC Name3,4,6,7,9-pentahydroxyphenalen-1-one
SMILESO=C1C=C(O)c2c(O)cc(O)c3c(O)cc(O)c1c23
InChIInChI=1S/C13H8O6/c14-4-1-5(15)11-7(17)3-9(19)12-8(18)2-6(16)10(4)13(11)12/h1-3,14-18H
InChIKeyIXKHVRYPGBLTEA-UHFFFAOYSA-N
XLogP1.76
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 51.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 3,4,6,7,9-pentahydroxyphenalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-4,6,7,9-tetramethoxyphenalen-1-one
CID 102189817
5-(2,8-dihydroxy-4-iodo-5,6-dioxonaphthalen-1-yl)-4,6-dihydroxy-8-iodonaphthalene-1,2-dione
CID 130383929
4,5,6,7-tetrachloro-3-hydroxyinden-1-one
CID 25273156
8-amino-4,5,7-trihydroxy-1-iminonaphthalen-2-one
CID 155907017
9-hydroxy-3,4,6,7-tetrakis(methylsulfanyl)phenalen-1-one
CID 102114710
CID 175845631
CID 175845631
4,6,8-trihydroxy-5-[(7R)-2,4,7-trihydroxy-5,6-dioxo-7,8-dihydronaphthalen-1-yl]naphthalene-1,2-dione
CID 130383900
4,5,7-trihydroxy-1H-naphthalen-2-one
CID 101080716
(6Z)-4-acetyl-6-[3-(3-acetyl-2,4,6-trihydroxyphenyl)-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-3,5-dihydroxycyclohexa-2,4-dien-1-one
CID 142493915
5,7-dihydroxy-2-methoxynaphthalene-1,4-dione
CID 71713819
iron;2,3,5-trihydroxycyclohexa-2,5-diene-1,4-dione
CID 175482341
5,7-dihydroxynaphthalene-1,4-dione
CID 605368

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,9-pentahydroxyphenalen-1-one?
The IUPAC name of 3,4,6,7,9-pentahydroxyphenalen-1-one (CID 125489226) is 3,4,6,7,9-pentahydroxyphenalen-1-one.
What is the SMILES notation for 3,4,6,7,9-pentahydroxyphenalen-1-one?
The canonical SMILES for 3,4,6,7,9-pentahydroxyphenalen-1-one is O=C1C=C(O)c2c(O)cc(O)c3c(O)cc(O)c1c23.
What is the InChIKey of 3,4,6,7,9-pentahydroxyphenalen-1-one?
The InChIKey is IXKHVRYPGBLTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O6/c14-4-1-5(15)11-7(17)3-9(19)12-8(18)2-6(16)10(4)13(11)12/h1-3,14-18H.
What are the key properties of 3,4,6,7,9-pentahydroxyphenalen-1-one?
3,4,6,7,9-pentahydroxyphenalen-1-one has a molecular weight of 260.20 g/mol, XLogP of 1.76, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,9-pentahydroxyphenalen-1-one is sourced from PubChem (CID 125489226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).