1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene

C10H10Br2 — CID 166642881

IUPAC1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene
SMILESCc1cccc(/C=C(\Br)CBr)c1
InChIInChI=1S/C10H10Br2/c1-8-3-2-4-9(5-8)6-10(12)7-11/h2-6H,7H2,1H3/b10-6-
InChIKeyHJRIZGPGOHVWRA-POHAHGRESA-N
MW290.00 g/mol
LogP4.13
Rot. Bonds2

About 1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene

1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene (PubChem CID 166642881) has the molecular formula C10H10Br2 and a molecular weight of 290.00 g/mol. Its IUPAC name is 1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene.

Molecular Properties

Compound Name1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene
PubChem CID166642881
Molecular FormulaC10H10Br2
Molecular Weight290.00 g/mol
Exact Mass287.91
IUPAC Name1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene
SMILESCc1cccc(/C=C(\Br)CBr)c1
InChIInChI=1S/C10H10Br2/c1-8-3-2-4-9(5-8)6-10(12)7-11/h2-6H,7H2,1H3/b10-6-
InChIKeyHJRIZGPGOHVWRA-POHAHGRESA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.00
LogP ≤ 54.13
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

3-methyl-4-(3-methylphenyl)but-3-en-2-one
CID 67408279
1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
CID 15662681
3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol
CID 79334428
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
(Z)-1-N,2-N-dimethyl-3-(3-methylphenyl)prop-2-ene-1,2-diamine
CID 178168748
(E)-4-methyl-5-(3-methylphenyl)pent-4-enal
CID 58390610
ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
CID 163241794
(2Z)-3,3-dimethyl-2-[(3-methylphenyl)methylidene]butanal
CID 115022693
(E)-3-methyl-4-(3-methylphenyl)but-3-en-2-amine
CID 103091736
ethane;methanol;1,3-xylene
CID 156743127
1-ethenyl-3-methylbenzene
CID 7529
ethane;1,3-xylene
CID 54570178

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene?
The IUPAC name of 1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene (CID 166642881) is 1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene.
What is the SMILES notation for 1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene?
The canonical SMILES for 1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene is Cc1cccc(/C=C(\Br)CBr)c1.
What is the InChIKey of 1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene?
The InChIKey is HJRIZGPGOHVWRA-POHAHGRESA-N. The full InChI is InChI=1S/C10H10Br2/c1-8-3-2-4-9(5-8)6-10(12)7-11/h2-6H,7H2,1H3/b10-6-.
What are the key properties of 1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene?
1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene has a molecular weight of 290.00 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene is sourced from PubChem (CID 166642881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).