2,4-diiodoxanthen-9-one

C13H6I2O2 — CID 172504971

IUPAC2,4-diiodoxanthen-9-one
SMILESO=c1c2ccccc2oc2c(I)cc(I)cc12
InChIInChI=1S/C13H6I2O2/c14-7-5-9-12(16)8-3-1-2-4-11(8)17-13(9)10(15)6-7/h1-6H
InChIKeyKGRVQRJOFDPRFZ-UHFFFAOYSA-N
MW448.00 g/mol
LogP4.16
Rot. Bonds

About 2,4-diiodoxanthen-9-one

2,4-diiodoxanthen-9-one (PubChem CID 172504971) has the molecular formula C13H6I2O2 and a molecular weight of 448.00 g/mol. Its IUPAC name is 2,4-diiodoxanthen-9-one.

Molecular Properties

Compound Name2,4-diiodoxanthen-9-one
PubChem CID172504971
Molecular FormulaC13H6I2O2
Molecular Weight448.00 g/mol
Exact Mass447.85
IUPAC Name2,4-diiodoxanthen-9-one
SMILESO=c1c2ccccc2oc2c(I)cc(I)cc12
InChIInChI=1S/C13H6I2O2/c14-7-5-9-12(16)8-3-1-2-4-11(8)17-13(9)10(15)6-7/h1-6H
InChIKeyKGRVQRJOFDPRFZ-UHFFFAOYSA-N
XLogP4.16
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.00
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(9-oxoxanthen-4-yl)xanthen-9-one
CID 58280681
N-dibenzofuran-3-yl-N'-(6,8-diiododibenzofuran-3-yl)pentanediamide
CID 71761184
2,6-diiododibenzofuran
CID 56649788
propane;xanthen-9-one
CID 90876458
3-hydroxy-1-iodoxanthen-9-one
CID 15499988
7-bromo-[1]benzofuro[3,2-b]chromen-11-one
CID 153449994
4-ethylxanthen-9-one
CID 15075530
2,4-bis(propan-2-ylsulfanyl)xanthen-9-one
CID 57143329
2,4-bis(1-sulfanylethyl)xanthen-9-one
CID 139534960
4-methyl-2-(2-phenylpropan-2-yl)xanthen-9-one
CID 22107230
3-hydroxy-2-phenylchromeno[2,3-c]pyridine-1,5-dione
CID 163192365
2-methylxanthen-9-one;xanthen-9-one
CID 70546954

Frequently Asked Questions

What is the IUPAC name of 2,4-diiodoxanthen-9-one?
The IUPAC name of 2,4-diiodoxanthen-9-one (CID 172504971) is 2,4-diiodoxanthen-9-one.
What is the SMILES notation for 2,4-diiodoxanthen-9-one?
The canonical SMILES for 2,4-diiodoxanthen-9-one is O=c1c2ccccc2oc2c(I)cc(I)cc12.
What is the InChIKey of 2,4-diiodoxanthen-9-one?
The InChIKey is KGRVQRJOFDPRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6I2O2/c14-7-5-9-12(16)8-3-1-2-4-11(8)17-13(9)10(15)6-7/h1-6H.
What are the key properties of 2,4-diiodoxanthen-9-one?
2,4-diiodoxanthen-9-one has a molecular weight of 448.00 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodoxanthen-9-one is sourced from PubChem (CID 172504971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).