1-bromoprop-1-en-2-ylbenzene

C9H9Br — CID 5152757

IUPAC1-bromoprop-1-en-2-ylbenzene
SMILESCC(=CBr)c1ccccc1
InChIInChI=1S/C9H9Br/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyCWQZIGGWSCPOPK-UHFFFAOYSA-N
MW197.08 g/mol
LogP3.44
Rot. Bonds1

About 1-bromoprop-1-en-2-ylbenzene

1-bromoprop-1-en-2-ylbenzene (PubChem CID 5152757) has the molecular formula C9H9Br and a molecular weight of 197.08 g/mol. Its IUPAC name is 1-bromoprop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-bromoprop-1-en-2-ylbenzene
PubChem CID5152757
Molecular FormulaC9H9Br
Molecular Weight197.08 g/mol
Exact Mass195.99
IUPAC Name1-bromoprop-1-en-2-ylbenzene
SMILESCC(=CBr)c1ccccc1
InChIInChI=1S/C9H9Br/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyCWQZIGGWSCPOPK-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.08
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromoprop-1-en-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-iodoprop-1-en-2-ylbenzene
CID 54065087
1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene
CID 86644757
[(E)-1-chloroprop-1-en-2-yl]benzene
CID 12504275
[(Z)-4-bromobut-2-en-2-yl]benzene
CID 68809722
[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene
CID 155717398
4-phenylpent-3-en-2-one
CID 594380
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
iodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc
CID 135060356
1-[(Z)-2-phenylprop-1-enyl]aziridine
CID 87132052
ethane;4-phenylpent-3-en-2-one
CID 123324566
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
phenyl-[(E)-2-phenylprop-1-enyl]iodanium
CID 12014626

Frequently Asked Questions

What is the IUPAC name of 1-bromoprop-1-en-2-ylbenzene?
The IUPAC name of 1-bromoprop-1-en-2-ylbenzene (CID 5152757) is 1-bromoprop-1-en-2-ylbenzene.
What is the SMILES notation for 1-bromoprop-1-en-2-ylbenzene?
The canonical SMILES for 1-bromoprop-1-en-2-ylbenzene is CC(=CBr)c1ccccc1.
What is the InChIKey of 1-bromoprop-1-en-2-ylbenzene?
The InChIKey is CWQZIGGWSCPOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 1-bromoprop-1-en-2-ylbenzene?
1-bromoprop-1-en-2-ylbenzene has a molecular weight of 197.08 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoprop-1-en-2-ylbenzene is sourced from PubChem (CID 5152757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).