1-bromo-4-[(2R)-but-3-en-2-yl]benzene

C10H11Br — CID 11241287

IUPAC1-bromo-4-[(2R)-but-3-en-2-yl]benzene
SMILESC=C[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C10H11Br/c1-3-8(2)9-4-6-10(11)7-5-9/h3-8H,1H2,2H3/t8-/m1/s1
InChIKeyNJOFFNYASNOOEJ-MRVPVSSYSA-N
MW211.10 g/mol
LogP3.74
Rot. Bonds2

About 1-bromo-4-[(2R)-but-3-en-2-yl]benzene

1-bromo-4-[(2R)-but-3-en-2-yl]benzene (PubChem CID 11241287) has the molecular formula C10H11Br and a molecular weight of 211.10 g/mol. Its IUPAC name is 1-bromo-4-[(2R)-but-3-en-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(2R)-but-3-en-2-yl]benzene
PubChem CID11241287
Molecular FormulaC10H11Br
Molecular Weight211.10 g/mol
Exact Mass210.00
IUPAC Name1-bromo-4-[(2R)-but-3-en-2-yl]benzene
SMILESC=C[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C10H11Br/c1-3-8(2)9-4-6-10(11)7-5-9/h3-8H,1H2,2H3/t8-/m1/s1
InChIKeyNJOFFNYASNOOEJ-MRVPVSSYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-but-3-en-2-ylbenzene
CID 575789
1-but-3-en-2-yl-4-methylbenzene;ruthenium
CID 175031395
(2R)-2-(4-bromophenyl)propanal
CID 39243198
1-(4-bromophenyl)-2-methylbut-3-en-1-ol
CID 14111207
1-bromo-3-[(2R)-but-3-en-2-yl]benzene
CID 42611824
1-bromo-4-(1-iodoprop-2-enyl)benzene
CID 69469784
(1S)-1-(4-bromophenyl)prop-2-en-1-ol
CID 25140431
2-(4-bromophenyl)propanal;ethane-1,2-diol
CID 175448284
1-(4-bromophenyl)-N-but-3-en-2-ylbut-3-en-1-amine
CID 101202887
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870
N-[1-(4-bromophenyl)ethyl]-N-methylethenesulfonamide
CID 167991901

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(2R)-but-3-en-2-yl]benzene?
The IUPAC name of 1-bromo-4-[(2R)-but-3-en-2-yl]benzene (CID 11241287) is 1-bromo-4-[(2R)-but-3-en-2-yl]benzene.
What is the SMILES notation for 1-bromo-4-[(2R)-but-3-en-2-yl]benzene?
The canonical SMILES for 1-bromo-4-[(2R)-but-3-en-2-yl]benzene is C=C[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(2R)-but-3-en-2-yl]benzene?
The InChIKey is NJOFFNYASNOOEJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11Br/c1-3-8(2)9-4-6-10(11)7-5-9/h3-8H,1H2,2H3/t8-/m1/s1.
What are the key properties of 1-bromo-4-[(2R)-but-3-en-2-yl]benzene?
1-bromo-4-[(2R)-but-3-en-2-yl]benzene has a molecular weight of 211.10 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(2R)-but-3-en-2-yl]benzene is sourced from PubChem (CID 11241287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).