2,4-diiodo-9H-xanthen-3-ol

C13H8I2O2 — CID 91488087

IUPAC2,4-diiodo-9H-xanthen-3-ol
SMILESOc1c(I)cc2c(c1I)Oc1ccccc1C2
InChIInChI=1S/C13H8I2O2/c14-9-6-8-5-7-3-1-2-4-10(7)17-13(8)11(15)12(9)16/h1-4,6,16H,5H2
InChIKeySYCGMHGEKOXPAV-UHFFFAOYSA-N
MW450.01 g/mol
LogP4.30
Rot. Bonds

About 2,4-diiodo-9H-xanthen-3-ol

2,4-diiodo-9H-xanthen-3-ol (PubChem CID 91488087) has the molecular formula C13H8I2O2 and a molecular weight of 450.01 g/mol. Its IUPAC name is 2,4-diiodo-9H-xanthen-3-ol.

Molecular Properties

Compound Name2,4-diiodo-9H-xanthen-3-ol
PubChem CID91488087
Molecular FormulaC13H8I2O2
Molecular Weight450.01 g/mol
Exact Mass449.86
IUPAC Name2,4-diiodo-9H-xanthen-3-ol
SMILESOc1c(I)cc2c(c1I)Oc1ccccc1C2
InChIInChI=1S/C13H8I2O2/c14-9-6-8-5-7-3-1-2-4-10(7)17-13(8)11(15)12(9)16/h1-4,6,16H,5H2
InChIKeySYCGMHGEKOXPAV-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.01
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-9H-xanthene
CID 11045034
9H-xanthen-4-ol
CID 12554333
9H-xanthene
CID 7107
5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol
CID 162075419
9H-xanthen-2-ol
CID 10219823
anthracene;9H-xanthene
CID 141402821
biphenylene;9H-xanthene
CID 69049558
sulfuric acid;9H-xanthene
CID 69337657
12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol
CID 160728687
2,4-bis(methylsulfanyl)-9H-xanthene
CID 69020074
1,4-dihydroxy-2-methoxy-6H-benzo[b][1]benzoxepin-5-one
CID 15512486
8,14-dihydrochromeno[2,3-a]xanthene;ethane;methanol
CID 158360982

Frequently Asked Questions

What is the IUPAC name of 2,4-diiodo-9H-xanthen-3-ol?
The IUPAC name of 2,4-diiodo-9H-xanthen-3-ol (CID 91488087) is 2,4-diiodo-9H-xanthen-3-ol.
What is the SMILES notation for 2,4-diiodo-9H-xanthen-3-ol?
The canonical SMILES for 2,4-diiodo-9H-xanthen-3-ol is Oc1c(I)cc2c(c1I)Oc1ccccc1C2.
What is the InChIKey of 2,4-diiodo-9H-xanthen-3-ol?
The InChIKey is SYCGMHGEKOXPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8I2O2/c14-9-6-8-5-7-3-1-2-4-10(7)17-13(8)11(15)12(9)16/h1-4,6,16H,5H2.
What are the key properties of 2,4-diiodo-9H-xanthen-3-ol?
2,4-diiodo-9H-xanthen-3-ol has a molecular weight of 450.01 g/mol, XLogP of 4.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodo-9H-xanthen-3-ol is sourced from PubChem (CID 91488087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).