1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene

C10H11Br — CID 15662681

IUPAC1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
SMILESCc1cccc(/C=C/CBr)c1
InChIInChI=1S/C10H11Br/c1-9-4-2-5-10(8-9)6-3-7-11/h2-6,8H,7H2,1H3/b6-3+
InChIKeyHSRUIACOXLDFHX-ZZXKWVIFSA-N
MW211.10 g/mol
LogP3.40
Rot. Bonds2

About 1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene

1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene (PubChem CID 15662681) has the molecular formula C10H11Br and a molecular weight of 211.10 g/mol. Its IUPAC name is 1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene.

Molecular Properties

Compound Name1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
PubChem CID15662681
Molecular FormulaC10H11Br
Molecular Weight211.10 g/mol
Exact Mass210.00
IUPAC Name1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
SMILESCc1cccc(/C=C/CBr)c1
InChIInChI=1S/C10H11Br/c1-9-4-2-5-10(8-9)6-3-7-11/h2-6,8H,7H2,1H3/b6-3+
InChIKeyHSRUIACOXLDFHX-ZZXKWVIFSA-N
XLogP3.40
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 ≤ 53.40
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-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1-methyl-3-pent-1-enylbenzene
CID 54093666
1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine
CID 143443436
ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
CID 163241794
ethane;1-[(E)-4-methoxybut-1-enyl]-3-methylbenzene
CID 143867253
3-(3-bromoprop-1-enyl)benzaldehyde
CID 169475107
1-(3-bromoprop-1-enyl)-3-methylsulfanylbenzene
CID 169475048
3-(3-bromoprop-1-enyl)-N,N-dimethylaniline
CID 169475509
ethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol
CID 143867256
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene
CID 102140920
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene?
The IUPAC name of 1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene (CID 15662681) is 1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene.
What is the SMILES notation for 1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene?
The canonical SMILES for 1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene is Cc1cccc(/C=C/CBr)c1.
What is the InChIKey of 1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene?
The InChIKey is HSRUIACOXLDFHX-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H11Br/c1-9-4-2-5-10(8-9)6-3-7-11/h2-6,8H,7H2,1H3/b6-3+.
What are the key properties of 1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene?
1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene has a molecular weight of 211.10 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene is sourced from PubChem (CID 15662681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).