6-iodo-4-methyl-3,4-dihydro-2H-chromene

C10H11IO — CID 10612333

IUPAC6-iodo-4-methyl-3,4-dihydro-2H-chromene
SMILESCC1CCOc2ccc(I)cc21
InChIInChI=1S/C10H11IO/c1-7-4-5-12-10-3-2-8(11)6-9(7)10/h2-3,6-7H,4-5H2,1H3
InChIKeySYAZTYPBLVGBLI-UHFFFAOYSA-N
MW274.10 g/mol
LogP3.18
Rot. Bonds

About 6-iodo-4-methyl-3,4-dihydro-2H-chromene

6-iodo-4-methyl-3,4-dihydro-2H-chromene (PubChem CID 10612333) has the molecular formula C10H11IO and a molecular weight of 274.10 g/mol. Its IUPAC name is 6-iodo-4-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-iodo-4-methyl-3,4-dihydro-2H-chromene
PubChem CID10612333
Molecular FormulaC10H11IO
Molecular Weight274.10 g/mol
Exact Mass273.99
IUPAC Name6-iodo-4-methyl-3,4-dihydro-2H-chromene
SMILESCC1CCOc2ccc(I)cc21
InChIInChI=1S/C10H11IO/c1-7-4-5-12-10-3-2-8(11)6-9(7)10/h2-3,6-7H,4-5H2,1H3
InChIKeySYAZTYPBLVGBLI-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 53.18
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 6-iodo-4-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 6-iodo-4-methyl-3,4-dihydro-2H-chromene (CID 10612333) is 6-iodo-4-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-iodo-4-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-iodo-4-methyl-3,4-dihydro-2H-chromene is CC1CCOc2ccc(I)cc21.
What is the InChIKey of 6-iodo-4-methyl-3,4-dihydro-2H-chromene?
The InChIKey is SYAZTYPBLVGBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO/c1-7-4-5-12-10-3-2-8(11)6-9(7)10/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 6-iodo-4-methyl-3,4-dihydro-2H-chromene?
6-iodo-4-methyl-3,4-dihydro-2H-chromene has a molecular weight of 274.10 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-4-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 10612333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).