6-hydroxy-2,4,5,7,9-pentamethylxanthen-3-one

C18H18O3 — CID 170609320

IUPAC6-hydroxy-2,4,5,7,9-pentamethylxanthen-3-one
SMILESCc1cc2c(C)c3cc(C)c(=O)c(C)c-3oc2c(C)c1O
InChIInChI=1S/C18H18O3/c1-8-6-13-10(3)14-7-9(2)16(20)12(5)18(14)21-17(13)11(4)15(8)19/h6-7,19H,1-5H3
InChIKeyQONOAMLMSWVCRN-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.15
Rot. Bonds

About 6-hydroxy-2,4,5,7,9-pentamethylxanthen-3-one

6-hydroxy-2,4,5,7,9-pentamethylxanthen-3-one (PubChem CID 170609320) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-hydroxy-2,4,5,7,9-pentamethylxanthen-3-one.

Molecular Properties

Compound Name6-hydroxy-2,4,5,7,9-pentamethylxanthen-3-one
PubChem CID170609320
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name6-hydroxy-2,4,5,7,9-pentamethylxanthen-3-one
SMILESCc1cc2c(C)c3cc(C)c(=O)c(C)c-3oc2c(C)c1O
InChIInChI=1S/C18H18O3/c1-8-6-13-10(3)14-7-9(2)16(20)12(5)18(14)21-17(13)11(4)15(8)19/h6-7,19H,1-5H3
InChIKeyQONOAMLMSWVCRN-UHFFFAOYSA-N
XLogP4.15
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6-hydroxy-2,4,5,7,9-pentamethylxanthen-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,4,5,7,9-pentamethylxanthen-3-one?
The IUPAC name of 6-hydroxy-2,4,5,7,9-pentamethylxanthen-3-one (CID 170609320) is 6-hydroxy-2,4,5,7,9-pentamethylxanthen-3-one.
What is the SMILES notation for 6-hydroxy-2,4,5,7,9-pentamethylxanthen-3-one?
The canonical SMILES for 6-hydroxy-2,4,5,7,9-pentamethylxanthen-3-one is Cc1cc2c(C)c3cc(C)c(=O)c(C)c-3oc2c(C)c1O.
What is the InChIKey of 6-hydroxy-2,4,5,7,9-pentamethylxanthen-3-one?
The InChIKey is QONOAMLMSWVCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-8-6-13-10(3)14-7-9(2)16(20)12(5)18(14)21-17(13)11(4)15(8)19/h6-7,19H,1-5H3.
What are the key properties of 6-hydroxy-2,4,5,7,9-pentamethylxanthen-3-one?
6-hydroxy-2,4,5,7,9-pentamethylxanthen-3-one has a molecular weight of 282.34 g/mol, XLogP of 4.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,4,5,7,9-pentamethylxanthen-3-one is sourced from PubChem (CID 170609320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).