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

C10H11Br — CID 101458254

IUPAC1-bromo-4-methyl-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(C)ccc1Br
InChIInChI=1S/C10H11Br/c1-7(2)9-6-8(3)4-5-10(9)11/h4-6H,1H2,2-3H3
InChIKeyQFENYWDTONLHEI-UHFFFAOYSA-N
MW211.10 g/mol
LogP3.79
Rot. Bonds1

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

1-bromo-4-methyl-2-prop-1-en-2-ylbenzene (PubChem CID 101458254) has the molecular formula C10H11Br and a molecular weight of 211.10 g/mol. Its IUPAC name is 1-bromo-4-methyl-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-bromo-4-methyl-2-prop-1-en-2-ylbenzene
PubChem CID101458254
Molecular FormulaC10H11Br
Molecular Weight211.10 g/mol
Exact Mass210.00
IUPAC Name1-bromo-4-methyl-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(C)ccc1Br
InChIInChI=1S/C10H11Br/c1-7(2)9-6-8(3)4-5-10(9)11/h4-6H,1H2,2-3H3
InChIKeyQFENYWDTONLHEI-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-bromo-5-methylbenzoic acid;ethane
CID 142935649
2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
CID 115968411
2,4-dimethyl-1-(4-methyl-2-prop-1-en-2-ylphenyl)benzene
CID 142964913
methyl 2-bromo-5-methylbenzoate
CID 15110996
2-bromo-1-(2-bromo-5-methylphenyl)ethanone
CID 81117333
(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone
CID 81117835
1-(2-bromo-5-methylphenyl)-2,3-dimethylbutan-1-one
CID 130674056
ethane;5-methyl-2-prop-1-en-2-ylaniline
CID 142496238
(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 81110554
4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene
CID 145439569
1,2-bis(prop-1-en-2-yl)benzene;1,4-xylene
CID 143494216
1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine
CID 145007823

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methyl-2-prop-1-en-2-ylbenzene?
The IUPAC name of 1-bromo-4-methyl-2-prop-1-en-2-ylbenzene (CID 101458254) is 1-bromo-4-methyl-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-bromo-4-methyl-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-bromo-4-methyl-2-prop-1-en-2-ylbenzene is C=C(C)c1cc(C)ccc1Br.
What is the InChIKey of 1-bromo-4-methyl-2-prop-1-en-2-ylbenzene?
The InChIKey is QFENYWDTONLHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br/c1-7(2)9-6-8(3)4-5-10(9)11/h4-6H,1H2,2-3H3.
What are the key properties of 1-bromo-4-methyl-2-prop-1-en-2-ylbenzene?
1-bromo-4-methyl-2-prop-1-en-2-ylbenzene has a molecular weight of 211.10 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methyl-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 101458254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).