1-bromo-3-[(2E)-2-ethenylpenta-2,4-dienoxy]benzene

C13H13BrO — CID 145470341

IUPAC1-bromo-3-[(2E)-2-ethenylpenta-2,4-dienoxy]benzene
SMILESC=C/C=C(\C=C)COc1cccc(Br)c1
InChIInChI=1S/C13H13BrO/c1-3-6-11(4-2)10-15-13-8-5-7-12(14)9-13/h3-9H,1-2,10H2/b11-6+
InChIKeyCDWNIZIVDNBTGE-IZZDOVSWSA-N
MW265.15 g/mol
LogP4.13
Rot. Bonds5

About 1-bromo-3-[(2E)-2-ethenylpenta-2,4-dienoxy]benzene

1-bromo-3-[(2E)-2-ethenylpenta-2,4-dienoxy]benzene (PubChem CID 145470341) has the molecular formula C13H13BrO and a molecular weight of 265.15 g/mol. Its IUPAC name is 1-bromo-3-[(2E)-2-ethenylpenta-2,4-dienoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-[(2E)-2-ethenylpenta-2,4-dienoxy]benzene
PubChem CID145470341
Molecular FormulaC13H13BrO
Molecular Weight265.15 g/mol
Exact Mass264.01
IUPAC Name1-bromo-3-[(2E)-2-ethenylpenta-2,4-dienoxy]benzene
SMILESC=C/C=C(\C=C)COc1cccc(Br)c1
InChIInChI=1S/C13H13BrO/c1-3-6-11(4-2)10-15-13-8-5-7-12(14)9-13/h3-9H,1-2,10H2/b11-6+
InChIKeyCDWNIZIVDNBTGE-IZZDOVSWSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]boronic acid
CID 143867943
2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol
CID 144859398
sodium 2-(3-bromophenoxy)acetate
CID 19205570
1-(3-bromophenoxy)-3-chloropropan-2-one
CID 39363612
1-bromo-3-hex-5-enoxybenzene
CID 146004224
1-bromo-3-ethoxybenzene;ethane
CID 143900364
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
1-(3-bromophenoxy)-4,4-dimethylpentan-2-one
CID 71192794
2-[2-(3-bromophenoxy)ethyl]-2-methylbut-3-en-1-ol
CID 102641790
2-(3-bromophenoxy)ethyl 2-phenoxyacetate
CID 55313634

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(2E)-2-ethenylpenta-2,4-dienoxy]benzene?
The IUPAC name of 1-bromo-3-[(2E)-2-ethenylpenta-2,4-dienoxy]benzene (CID 145470341) is 1-bromo-3-[(2E)-2-ethenylpenta-2,4-dienoxy]benzene.
What is the SMILES notation for 1-bromo-3-[(2E)-2-ethenylpenta-2,4-dienoxy]benzene?
The canonical SMILES for 1-bromo-3-[(2E)-2-ethenylpenta-2,4-dienoxy]benzene is C=C/C=C(\C=C)COc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[(2E)-2-ethenylpenta-2,4-dienoxy]benzene?
The InChIKey is CDWNIZIVDNBTGE-IZZDOVSWSA-N. The full InChI is InChI=1S/C13H13BrO/c1-3-6-11(4-2)10-15-13-8-5-7-12(14)9-13/h3-9H,1-2,10H2/b11-6+.
What are the key properties of 1-bromo-3-[(2E)-2-ethenylpenta-2,4-dienoxy]benzene?
1-bromo-3-[(2E)-2-ethenylpenta-2,4-dienoxy]benzene has a molecular weight of 265.15 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(2E)-2-ethenylpenta-2,4-dienoxy]benzene is sourced from PubChem (CID 145470341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).