5-chloro-6-iodo-3,4-dihydro-2H-chromene

C9H8ClIO — CID 59606716

IUPAC5-chloro-6-iodo-3,4-dihydro-2H-chromene
SMILESClc1c(I)ccc2c1CCCO2
InChIInChI=1S/C9H8ClIO/c10-9-6-2-1-5-12-8(6)4-3-7(9)11/h3-4H,1-2,5H2
InChIKeyDABGDJXVQYMLHY-UHFFFAOYSA-N
MW294.52 g/mol
LogP3.27
Rot. Bonds

About 5-chloro-6-iodo-3,4-dihydro-2H-chromene

5-chloro-6-iodo-3,4-dihydro-2H-chromene (PubChem CID 59606716) has the molecular formula C9H8ClIO and a molecular weight of 294.52 g/mol. Its IUPAC name is 5-chloro-6-iodo-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name5-chloro-6-iodo-3,4-dihydro-2H-chromene
PubChem CID59606716
Molecular FormulaC9H8ClIO
Molecular Weight294.52 g/mol
Exact Mass293.93
IUPAC Name5-chloro-6-iodo-3,4-dihydro-2H-chromene
SMILESClc1c(I)ccc2c1CCCO2
InChIInChI=1S/C9H8ClIO/c10-9-6-2-1-5-12-8(6)4-3-7(9)11/h3-4H,1-2,5H2
InChIKeyDABGDJXVQYMLHY-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.52
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-iodo-3,4-dihydro-2H-chromene?
The IUPAC name of 5-chloro-6-iodo-3,4-dihydro-2H-chromene (CID 59606716) is 5-chloro-6-iodo-3,4-dihydro-2H-chromene.
What is the SMILES notation for 5-chloro-6-iodo-3,4-dihydro-2H-chromene?
The canonical SMILES for 5-chloro-6-iodo-3,4-dihydro-2H-chromene is Clc1c(I)ccc2c1CCCO2.
What is the InChIKey of 5-chloro-6-iodo-3,4-dihydro-2H-chromene?
The InChIKey is DABGDJXVQYMLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClIO/c10-9-6-2-1-5-12-8(6)4-3-7(9)11/h3-4H,1-2,5H2.
What are the key properties of 5-chloro-6-iodo-3,4-dihydro-2H-chromene?
5-chloro-6-iodo-3,4-dihydro-2H-chromene has a molecular weight of 294.52 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-iodo-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59606716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).