3-bromoprop-1-en-2-ylbenzene;3-chloroprop-1-en-2-ylbenzene

C18H18BrCl — CID 70464335

IUPAC3-bromoprop-1-en-2-ylbenzene;3-chloroprop-1-en-2-ylbenzene
SMILESC=C(CBr)c1ccccc1.C=C(CCl)c1ccccc1
InChIInChI=1S/C9H9Br.C9H9Cl/c2*1-8(7-10)9-5-3-2-4-6-9/h2*2-6H,1,7H2
InChIKeyLRQPHXPIPXFFES-UHFFFAOYSA-N
MW349.70 g/mol
LogP6.03
Rot. Bonds4

About 3-bromoprop-1-en-2-ylbenzene;3-chloroprop-1-en-2-ylbenzene

3-bromoprop-1-en-2-ylbenzene;3-chloroprop-1-en-2-ylbenzene (PubChem CID 70464335) has the molecular formula C18H18BrCl and a molecular weight of 349.70 g/mol. Its IUPAC name is 3-bromoprop-1-en-2-ylbenzene;3-chloroprop-1-en-2-ylbenzene.

Molecular Properties

Compound Name3-bromoprop-1-en-2-ylbenzene;3-chloroprop-1-en-2-ylbenzene
PubChem CID70464335
Molecular FormulaC18H18BrCl
Molecular Weight349.70 g/mol
Exact Mass348.03
IUPAC Name3-bromoprop-1-en-2-ylbenzene;3-chloroprop-1-en-2-ylbenzene
SMILESC=C(CBr)c1ccccc1.C=C(CCl)c1ccccc1
InChIInChI=1S/C9H9Br.C9H9Cl/c2*1-8(7-10)9-5-3-2-4-6-9/h2*2-6H,1,7H2
InChIKeyLRQPHXPIPXFFES-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.70
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromoprop-1-en-2-yl)-4-chlorobenzene
CID 11253250
1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene
CID 11694212
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
4-(3-bromoprop-1-en-2-yl)benzonitrile
CID 130210199
3-phenylbut-3-enoic acid
CID 10702134
pent-1-en-2-ylbenzene
CID 521761
2-(3-bromoprop-1-en-2-yl)phenol
CID 142533452
3-(6-bromohexoxy)prop-1-en-2-ylbenzene
CID 70184291
2-phenylprop-2-en-1-amine;propane
CID 143101756
trimethyl(2-phenylprop-2-enyl)azanium
CID 10901234
triphenyl(2-phenylprop-2-enyl)stannane
CID 71399918
1-phenylethenyl 2-chloroacetate
CID 13032777

Frequently Asked Questions

What is the IUPAC name of 3-bromoprop-1-en-2-ylbenzene;3-chloroprop-1-en-2-ylbenzene?
The IUPAC name of 3-bromoprop-1-en-2-ylbenzene;3-chloroprop-1-en-2-ylbenzene (CID 70464335) is 3-bromoprop-1-en-2-ylbenzene;3-chloroprop-1-en-2-ylbenzene.
What is the SMILES notation for 3-bromoprop-1-en-2-ylbenzene;3-chloroprop-1-en-2-ylbenzene?
The canonical SMILES for 3-bromoprop-1-en-2-ylbenzene;3-chloroprop-1-en-2-ylbenzene is C=C(CBr)c1ccccc1.C=C(CCl)c1ccccc1.
What is the InChIKey of 3-bromoprop-1-en-2-ylbenzene;3-chloroprop-1-en-2-ylbenzene?
The InChIKey is LRQPHXPIPXFFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br.C9H9Cl/c2*1-8(7-10)9-5-3-2-4-6-9/h2*2-6H,1,7H2.
What are the key properties of 3-bromoprop-1-en-2-ylbenzene;3-chloroprop-1-en-2-ylbenzene?
3-bromoprop-1-en-2-ylbenzene;3-chloroprop-1-en-2-ylbenzene has a molecular weight of 349.70 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoprop-1-en-2-ylbenzene;3-chloroprop-1-en-2-ylbenzene is sourced from PubChem (CID 70464335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).