4-iodo-9H-xanthene

C13H9IO — CID 11045034

IUPAC4-iodo-9H-xanthene
SMILESIc1cccc2c1Oc1ccccc1C2
InChIInChI=1S/C13H9IO/c14-11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h1-7H,8H2
InChIKeyAIZMMWPNBZCWCW-UHFFFAOYSA-N
MW308.12 g/mol
LogP3.99
Rot. Bonds

About 4-iodo-9H-xanthene

4-iodo-9H-xanthene (PubChem CID 11045034) has the molecular formula C13H9IO and a molecular weight of 308.12 g/mol. Its IUPAC name is 4-iodo-9H-xanthene.

Molecular Properties

Compound Name4-iodo-9H-xanthene
PubChem CID11045034
Molecular FormulaC13H9IO
Molecular Weight308.12 g/mol
Exact Mass307.97
IUPAC Name4-iodo-9H-xanthene
SMILESIc1cccc2c1Oc1ccccc1C2
InChIInChI=1S/C13H9IO/c14-11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h1-7H,8H2
InChIKeyAIZMMWPNBZCWCW-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9H-xanthen-4-ol
CID 12554333
9H-xanthene
CID 7107
5,8-dihydrochromeno[3,2-c]xanthene;ethane;methanol
CID 162075419
2,4-diiodo-9H-xanthen-3-ol
CID 91488087
9H-xanthene-3,4-diamine
CID 174775292
biphenylene;9H-xanthene
CID 69049558
1,4-diiododibenzo-p-dioxin
CID 172505013
8,14-dihydrochromeno[2,3-a]xanthene;ethane;methanol
CID 158360982
anthracene;9H-xanthene
CID 141402821
sulfuric acid;9H-xanthene
CID 69337657
1-bromo-9H-xanthene;9H-xanthene
CID 174712211
11H-benzo[c][1]benzoxepin-6-one
CID 827435

Frequently Asked Questions

What is the IUPAC name of 4-iodo-9H-xanthene?
The IUPAC name of 4-iodo-9H-xanthene (CID 11045034) is 4-iodo-9H-xanthene.
What is the SMILES notation for 4-iodo-9H-xanthene?
The canonical SMILES for 4-iodo-9H-xanthene is Ic1cccc2c1Oc1ccccc1C2.
What is the InChIKey of 4-iodo-9H-xanthene?
The InChIKey is AIZMMWPNBZCWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9IO/c14-11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h1-7H,8H2.
What are the key properties of 4-iodo-9H-xanthene?
4-iodo-9H-xanthene has a molecular weight of 308.12 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-9H-xanthene is sourced from PubChem (CID 11045034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).