1-[4-bromo-1-(4-methoxyphenyl)but-2-enyl]-4-methoxybenzene

C18H19BrO2 — CID 56978302

IUPAC1-[4-bromo-1-(4-methoxyphenyl)but-2-enyl]-4-methoxybenzene
SMILESCOc1ccc(C(C=CCBr)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H19BrO2/c1-20-16-9-5-14(6-10-16)18(4-3-13-19)15-7-11-17(21-2)12-8-15/h3-12,18H,13H2,1-2H3
InChIKeyQBQMELTYCDAADW-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.79
Rot. Bonds6

About 1-[4-bromo-1-(4-methoxyphenyl)but-2-enyl]-4-methoxybenzene

1-[4-bromo-1-(4-methoxyphenyl)but-2-enyl]-4-methoxybenzene (PubChem CID 56978302) has the molecular formula C18H19BrO2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 1-[4-bromo-1-(4-methoxyphenyl)but-2-enyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[4-bromo-1-(4-methoxyphenyl)but-2-enyl]-4-methoxybenzene
PubChem CID56978302
Molecular FormulaC18H19BrO2
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name1-[4-bromo-1-(4-methoxyphenyl)but-2-enyl]-4-methoxybenzene
SMILESCOc1ccc(C(C=CCBr)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H19BrO2/c1-20-16-9-5-14(6-10-16)18(4-3-13-19)15-7-11-17(21-2)12-8-15/h3-12,18H,13H2,1-2H3
InChIKeyQBQMELTYCDAADW-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3,3-bis(4-methoxyphenyl)prop-1-enyl]naphthalene
CID 101000722
1-(4-bromo-3-methylbutan-2-yl)-4-methoxybenzene
CID 83932073
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene
CID 102287060
4,4-bis(4-methoxyphenyl)but-1-en-1-ol
CID 174788315
2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene
CID 169476606
(4-methoxyphenyl)methanedithiol
CID 19893185
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-4-ethylbenzene
CID 102451451
1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene
CID 139824565

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-(4-methoxyphenyl)but-2-enyl]-4-methoxybenzene?
The IUPAC name of 1-[4-bromo-1-(4-methoxyphenyl)but-2-enyl]-4-methoxybenzene (CID 56978302) is 1-[4-bromo-1-(4-methoxyphenyl)but-2-enyl]-4-methoxybenzene.
What is the SMILES notation for 1-[4-bromo-1-(4-methoxyphenyl)but-2-enyl]-4-methoxybenzene?
The canonical SMILES for 1-[4-bromo-1-(4-methoxyphenyl)but-2-enyl]-4-methoxybenzene is COc1ccc(C(C=CCBr)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[4-bromo-1-(4-methoxyphenyl)but-2-enyl]-4-methoxybenzene?
The InChIKey is QBQMELTYCDAADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2/c1-20-16-9-5-14(6-10-16)18(4-3-13-19)15-7-11-17(21-2)12-8-15/h3-12,18H,13H2,1-2H3.
What are the key properties of 1-[4-bromo-1-(4-methoxyphenyl)but-2-enyl]-4-methoxybenzene?
1-[4-bromo-1-(4-methoxyphenyl)but-2-enyl]-4-methoxybenzene has a molecular weight of 347.25 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-(4-methoxyphenyl)but-2-enyl]-4-methoxybenzene is sourced from PubChem (CID 56978302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).