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

C10H11IO — CID 59113741

IUPAC8-iodo-6-methyl-3,4-dihydro-2H-chromene
SMILESCc1cc(I)c2c(c1)CCCO2
InChIInChI=1S/C10H11IO/c1-7-5-8-3-2-4-12-10(8)9(11)6-7/h5-6H,2-4H2,1H3
InChIKeyWFLQOCMDBAVRGU-UHFFFAOYSA-N
MW274.10 g/mol
LogP2.92
Rot. Bonds

About 8-iodo-6-methyl-3,4-dihydro-2H-chromene

8-iodo-6-methyl-3,4-dihydro-2H-chromene (PubChem CID 59113741) has the molecular formula C10H11IO and a molecular weight of 274.10 g/mol. Its IUPAC name is 8-iodo-6-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-iodo-6-methyl-3,4-dihydro-2H-chromene
PubChem CID59113741
Molecular FormulaC10H11IO
Molecular Weight274.10 g/mol
Exact Mass273.99
IUPAC Name8-iodo-6-methyl-3,4-dihydro-2H-chromene
SMILESCc1cc(I)c2c(c1)CCCO2
InChIInChI=1S/C10H11IO/c1-7-5-8-3-2-4-12-10(8)9(11)6-7/h5-6H,2-4H2,1H3
InChIKeyWFLQOCMDBAVRGU-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
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

8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene
CID 158337388
1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanone
CID 82241376
(2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine
CID 66518877
9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-7-ol
CID 102149497
2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol
CID 82242261
ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran
CID 177214189
2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol
CID 82244780
2-chloro-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-one
CID 82245104
8-fluoro-N-methyl-3,4-dihydro-2H-chromen-6-amine
CID 89390104
(4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 131173128
3-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)butan-1-one
CID 82244284
ethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 144996832

Frequently Asked Questions

What is the IUPAC name of 8-iodo-6-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 8-iodo-6-methyl-3,4-dihydro-2H-chromene (CID 59113741) is 8-iodo-6-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-iodo-6-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-iodo-6-methyl-3,4-dihydro-2H-chromene is Cc1cc(I)c2c(c1)CCCO2.
What is the InChIKey of 8-iodo-6-methyl-3,4-dihydro-2H-chromene?
The InChIKey is WFLQOCMDBAVRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO/c1-7-5-8-3-2-4-12-10(8)9(11)6-7/h5-6H,2-4H2,1H3.
What are the key properties of 8-iodo-6-methyl-3,4-dihydro-2H-chromene?
8-iodo-6-methyl-3,4-dihydro-2H-chromene has a molecular weight of 274.10 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-6-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59113741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).