1-bromo-4-chloro-3-methyl-2-prop-1-en-2-ylbenzene

C10H10BrCl — CID 154933123

IUPAC1-bromo-4-chloro-3-methyl-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1c(Br)ccc(Cl)c1C
InChIInChI=1S/C10H10BrCl/c1-6(2)10-7(3)9(12)5-4-8(10)11/h4-5H,1H2,2-3H3
InChIKeyOSWFEBGONGECLK-UHFFFAOYSA-N
MW245.55 g/mol
LogP4.44
Rot. Bonds1

About 1-bromo-4-chloro-3-methyl-2-prop-1-en-2-ylbenzene

1-bromo-4-chloro-3-methyl-2-prop-1-en-2-ylbenzene (PubChem CID 154933123) has the molecular formula C10H10BrCl and a molecular weight of 245.55 g/mol. Its IUPAC name is 1-bromo-4-chloro-3-methyl-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-bromo-4-chloro-3-methyl-2-prop-1-en-2-ylbenzene
PubChem CID154933123
Molecular FormulaC10H10BrCl
Molecular Weight245.55 g/mol
Exact Mass243.97
IUPAC Name1-bromo-4-chloro-3-methyl-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1c(Br)ccc(Cl)c1C
InChIInChI=1S/C10H10BrCl/c1-6(2)10-7(3)9(12)5-4-8(10)11/h4-5H,1H2,2-3H3
InChIKeyOSWFEBGONGECLK-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.55
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-3-methyl-2-prop-1-en-2-ylbenzene
CID 139505974
1-bromo-4-chloro-2-fluoro-3-methylbenzene
CID 13340108
(3-bromo-6-chloro-2-methylphenyl)methanol
CID 131627541
4-bromo-1-chloro-2-prop-1-en-2-ylbenzene
CID 68562751
1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene
CID 166532604
2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone
CID 171032819
1-(6-bromo-2-chloro-3-methylphenyl)ethanone
CID 131313188
1-(3-chloro-6-fluoro-2-methylphenyl)ethanone
CID 84770201
1-(3-bromo-6-chloro-2-fluorophenyl)ethanone
CID 83409943
3-bromo-7-chloro-4,6-dimethyldibenzofuran
CID 62707291
1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane
CID 163302600
2-bromo-4-chloro-3-methylphenol;2-bromo-4-chloro-5-methylphenol
CID 159184639

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloro-3-methyl-2-prop-1-en-2-ylbenzene?
The IUPAC name of 1-bromo-4-chloro-3-methyl-2-prop-1-en-2-ylbenzene (CID 154933123) is 1-bromo-4-chloro-3-methyl-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-bromo-4-chloro-3-methyl-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-bromo-4-chloro-3-methyl-2-prop-1-en-2-ylbenzene is C=C(C)c1c(Br)ccc(Cl)c1C.
What is the InChIKey of 1-bromo-4-chloro-3-methyl-2-prop-1-en-2-ylbenzene?
The InChIKey is OSWFEBGONGECLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl/c1-6(2)10-7(3)9(12)5-4-8(10)11/h4-5H,1H2,2-3H3.
What are the key properties of 1-bromo-4-chloro-3-methyl-2-prop-1-en-2-ylbenzene?
1-bromo-4-chloro-3-methyl-2-prop-1-en-2-ylbenzene has a molecular weight of 245.55 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-chloro-3-methyl-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 154933123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).