1-bromo-4-(1-iodoprop-2-enyl)benzene

C9H8BrI — CID 69469784

IUPAC1-bromo-4-(1-iodoprop-2-enyl)benzene
SMILESC=CC(I)c1ccc(Br)cc1
InChIInChI=1S/C9H8BrI/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6,9H,1H2
InChIKeyIIQNVPJWUDVVCY-UHFFFAOYSA-N
MW322.97 g/mol
LogP4.11
Rot. Bonds2

About 1-bromo-4-(1-iodoprop-2-enyl)benzene

1-bromo-4-(1-iodoprop-2-enyl)benzene (PubChem CID 69469784) has the molecular formula C9H8BrI and a molecular weight of 322.97 g/mol. Its IUPAC name is 1-bromo-4-(1-iodoprop-2-enyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(1-iodoprop-2-enyl)benzene
PubChem CID69469784
Molecular FormulaC9H8BrI
Molecular Weight322.97 g/mol
Exact Mass321.89
IUPAC Name1-bromo-4-(1-iodoprop-2-enyl)benzene
SMILESC=CC(I)c1ccc(Br)cc1
InChIInChI=1S/C9H8BrI/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6,9H,1H2
InChIKeyIIQNVPJWUDVVCY-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.97
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-but-3-en-2-ylbenzene
CID 575789
(1S)-1-(4-bromophenyl)prop-2-en-1-ol
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1-bromo-4-[(2R)-but-3-en-2-yl]benzene
CID 11241287
1-(4-bromophenyl)-2-methylbut-3-en-1-ol
CID 14111207
(1R)-1-(4-bromophenyl)-2-methylidenebut-3-en-1-ol
CID 102412328
(1R,2S)-1-(4-bromophenyl)-2-cyclopropylbut-3-en-1-ol
CID 134954259
(1R,2R)-1,2-bis(4-bromophenyl)ethane-1,2-diol
CID 11046931
(4-bromophenyl)methanediamine
CID 68740698
1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol
CID 15807454
1-(4-bromophenyl)-N-but-3-en-2-ylbut-3-en-1-amine
CID 101202887
azane;1,4-dibromobenzene
CID 175259215
(1S,2R)-1-(4-bromophenyl)-2-(4-methoxyphenyl)but-3-en-1-ol
CID 101336331

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1-iodoprop-2-enyl)benzene?
The IUPAC name of 1-bromo-4-(1-iodoprop-2-enyl)benzene (CID 69469784) is 1-bromo-4-(1-iodoprop-2-enyl)benzene.
What is the SMILES notation for 1-bromo-4-(1-iodoprop-2-enyl)benzene?
The canonical SMILES for 1-bromo-4-(1-iodoprop-2-enyl)benzene is C=CC(I)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(1-iodoprop-2-enyl)benzene?
The InChIKey is IIQNVPJWUDVVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrI/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6,9H,1H2.
What are the key properties of 1-bromo-4-(1-iodoprop-2-enyl)benzene?
1-bromo-4-(1-iodoprop-2-enyl)benzene has a molecular weight of 322.97 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1-iodoprop-2-enyl)benzene is sourced from PubChem (CID 69469784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).