2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene

C10H10Br2O — CID 169476606

IUPAC2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene
SMILESCOc1ccc(C=CCBr)c(Br)c1
InChIInChI=1S/C10H10Br2O/c1-13-9-5-4-8(3-2-6-11)10(12)7-9/h2-5,7H,6H2,1H3
InChIKeyBEXRUNYDBMJUDN-UHFFFAOYSA-N
MW306.00 g/mol
LogP3.87
Rot. Bonds3

About 2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene

2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene (PubChem CID 169476606) has the molecular formula C10H10Br2O and a molecular weight of 306.00 g/mol. Its IUPAC name is 2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene.

Molecular Properties

Compound Name2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene
PubChem CID169476606
Molecular FormulaC10H10Br2O
Molecular Weight306.00 g/mol
Exact Mass303.91
IUPAC Name2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene
SMILESCOc1ccc(C=CCBr)c(Br)c1
InChIInChI=1S/C10H10Br2O/c1-13-9-5-4-8(3-2-6-11)10(12)7-9/h2-5,7H,6H2,1H3
InChIKeyBEXRUNYDBMJUDN-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.00
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromoprop-1-enyl)-4-methoxy-2-nitrobenzene
CID 68696051
S-[3-(2-bromo-4-methoxyphenyl)prop-2-enyl] ethanethioate
CID 169458411
3-(2-bromo-5-methoxyphenyl)prop-2-en-1-ol
CID 169454365
2-bromo-4-methoxy-1-[(E)-2-nitroethenyl]benzene
CID 130534287
3-bromo-4-(3-bromoprop-1-enyl)benzoic acid
CID 169476518
2-(4-bromobut-1-enyl)-4-methoxy-1-methylbenzene
CID 170497358
1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene
CID 145499218
3-(4-methoxy-2-methylphenyl)prop-2-en-1-ol
CID 86025017
(1E,4E)-1,5-bis(2-bromo-5-methoxyphenyl)penta-1,4-dien-3-one
CID 85469362
1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene
CID 169475772
4-methoxy-2-(3-sulfanylprop-1-enyl)benzaldehyde
CID 169455417
5-methoxy-2-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169474148

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene?
The IUPAC name of 2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene (CID 169476606) is 2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene.
What is the SMILES notation for 2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene?
The canonical SMILES for 2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene is COc1ccc(C=CCBr)c(Br)c1.
What is the InChIKey of 2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene?
The InChIKey is BEXRUNYDBMJUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O/c1-13-9-5-4-8(3-2-6-11)10(12)7-9/h2-5,7H,6H2,1H3.
What are the key properties of 2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene?
2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene has a molecular weight of 306.00 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene is sourced from PubChem (CID 169476606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).