1,3-dibromo-4-cyclopent-2-en-1-yloxy-2-iodobenzene

C11H9Br2IO — CID 139754248

IUPAC1,3-dibromo-4-cyclopent-2-en-1-yloxy-2-iodobenzene
SMILESBrc1ccc(OC2C=CCC2)c(Br)c1I
InChIInChI=1S/C11H9Br2IO/c12-8-5-6-9(10(13)11(8)14)15-7-3-1-2-4-7/h1,3,5-7H,2,4H2
InChIKeyOUSBMDGNWAGRPU-UHFFFAOYSA-N
MW443.90 g/mol
LogP4.91
Rot. Bonds2

About 1,3-dibromo-4-cyclopent-2-en-1-yloxy-2-iodobenzene

1,3-dibromo-4-cyclopent-2-en-1-yloxy-2-iodobenzene (PubChem CID 139754248) has the molecular formula C11H9Br2IO and a molecular weight of 443.90 g/mol. Its IUPAC name is 1,3-dibromo-4-cyclopent-2-en-1-yloxy-2-iodobenzene.

Molecular Properties

Compound Name1,3-dibromo-4-cyclopent-2-en-1-yloxy-2-iodobenzene
PubChem CID139754248
Molecular FormulaC11H9Br2IO
Molecular Weight443.90 g/mol
Exact Mass441.81
IUPAC Name1,3-dibromo-4-cyclopent-2-en-1-yloxy-2-iodobenzene
SMILESBrc1ccc(OC2C=CCC2)c(Br)c1I
InChIInChI=1S/C11H9Br2IO/c12-8-5-6-9(10(13)11(8)14)15-7-3-1-2-4-7/h1,3,5-7H,2,4H2
InChIKeyOUSBMDGNWAGRPU-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.90
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclopent-2-en-1-yloxybenzaldehyde
CID 13110295
[(1R)-cyclopent-2-en-1-yl]oxybenzene
CID 135011390
1,2,4-tribromo-3-iodobenzene
CID 119023408
4-cyclopent-2-en-1-yloxy-3-methoxybenzaldehyde
CID 105472168
1-bromo-4-cyclohex-2-en-1-yloxy-2-fluorobenzene
CID 114620041
4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene
CID 107284123
(E)-3-(5-bromo-2-cyclohex-2-en-1-yloxyphenyl)prop-2-enoic acid
CID 114620185
1-cyclohex-2-en-1-yloxy-2-ethenylbenzene
CID 15274159
2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene
CID 10267307
3-cyclopent-2-en-1-yloxy-6-fluoro-2-methoxybenzoyl chloride
CID 139711791
5-chloro-2-cyclohex-2-en-1-yloxybenzoic acid
CID 54206426
3-hydroperoxycyclopentene
CID 10909498

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-4-cyclopent-2-en-1-yloxy-2-iodobenzene?
The IUPAC name of 1,3-dibromo-4-cyclopent-2-en-1-yloxy-2-iodobenzene (CID 139754248) is 1,3-dibromo-4-cyclopent-2-en-1-yloxy-2-iodobenzene.
What is the SMILES notation for 1,3-dibromo-4-cyclopent-2-en-1-yloxy-2-iodobenzene?
The canonical SMILES for 1,3-dibromo-4-cyclopent-2-en-1-yloxy-2-iodobenzene is Brc1ccc(OC2C=CCC2)c(Br)c1I.
What is the InChIKey of 1,3-dibromo-4-cyclopent-2-en-1-yloxy-2-iodobenzene?
The InChIKey is OUSBMDGNWAGRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2IO/c12-8-5-6-9(10(13)11(8)14)15-7-3-1-2-4-7/h1,3,5-7H,2,4H2.
What are the key properties of 1,3-dibromo-4-cyclopent-2-en-1-yloxy-2-iodobenzene?
1,3-dibromo-4-cyclopent-2-en-1-yloxy-2-iodobenzene has a molecular weight of 443.90 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-4-cyclopent-2-en-1-yloxy-2-iodobenzene is sourced from PubChem (CID 139754248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).