1-(iodomethyl)-3,4-dihydro-1H-isochromene

C10H11IO — CID 64788937

IUPAC1-(iodomethyl)-3,4-dihydro-1H-isochromene
SMILESICC1OCCc2ccccc21
InChIInChI=1S/C10H11IO/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10H,5-7H2
InChIKeyYLSUNGDPMKBXKJ-UHFFFAOYSA-N
MW274.10 g/mol
LogP2.74
Rot. Bonds1

About 1-(iodomethyl)-3,4-dihydro-1H-isochromene

1-(iodomethyl)-3,4-dihydro-1H-isochromene (PubChem CID 64788937) has the molecular formula C10H11IO and a molecular weight of 274.10 g/mol. Its IUPAC name is 1-(iodomethyl)-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name1-(iodomethyl)-3,4-dihydro-1H-isochromene
PubChem CID64788937
Molecular FormulaC10H11IO
Molecular Weight274.10 g/mol
Exact Mass273.99
IUPAC Name1-(iodomethyl)-3,4-dihydro-1H-isochromene
SMILESICC1OCCc2ccccc21
InChIInChI=1S/C10H11IO/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10H,5-7H2
InChIKeyYLSUNGDPMKBXKJ-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-3,4-dihydro-1H-isochromen-1-yl]methanethiol
CID 129369937
1-(iodomethyl)-1,3-dihydro-2-benzofuran
CID 138756847
2-(3,4-dihydro-1H-isochromen-1-yl)-N-methylethanamine
CID 14141276
2-(3,4-dihydro-1H-isochromen-1-yl)ethylhydrazine
CID 114984667
[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl-diethylazanium
CID 6937341
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2-methylcyclopropyl)ethanone
CID 65421680
3-(3,4-dihydro-1H-isochromen-1-yl)propanoic acid
CID 23288809
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2-iodophenyl)ethanol
CID 115809682
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-pyrrolidin-1-ylethanamine
CID 558742
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)hexan-1-amine
CID 45142695
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpentan-3-amine
CID 65039540
2-(3,4-dihydro-1H-isochromen-1-ylmethylamino)propane-1,3-diol
CID 65314114

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-3,4-dihydro-1H-isochromene?
The IUPAC name of 1-(iodomethyl)-3,4-dihydro-1H-isochromene (CID 64788937) is 1-(iodomethyl)-3,4-dihydro-1H-isochromene.
What is the SMILES notation for 1-(iodomethyl)-3,4-dihydro-1H-isochromene?
The canonical SMILES for 1-(iodomethyl)-3,4-dihydro-1H-isochromene is ICC1OCCc2ccccc21.
What is the InChIKey of 1-(iodomethyl)-3,4-dihydro-1H-isochromene?
The InChIKey is YLSUNGDPMKBXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10H,5-7H2.
What are the key properties of 1-(iodomethyl)-3,4-dihydro-1H-isochromene?
1-(iodomethyl)-3,4-dihydro-1H-isochromene has a molecular weight of 274.10 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 64788937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).