4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene

C13H15BrO — CID 130287639

IUPAC4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene
SMILESC=CCC(C)Oc1ccc(Br)cc1C=C
InChIInChI=1S/C13H15BrO/c1-4-6-10(3)15-13-8-7-12(14)9-11(13)5-2/h4-5,7-10H,1-2,6H2,3H3
InChIKeyUXJGSQLNLGJHSB-UHFFFAOYSA-N
MW267.17 g/mol
LogP4.44
Rot. Bonds5

About 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene

4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene (PubChem CID 130287639) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene.

Molecular Properties

Compound Name4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene
PubChem CID130287639
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene
SMILESC=CCC(C)Oc1ccc(Br)cc1C=C
InChIInChI=1S/C13H15BrO/c1-4-6-10(3)15-13-8-7-12(14)9-11(13)5-2/h4-5,7-10H,1-2,6H2,3H3
InChIKeyUXJGSQLNLGJHSB-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-ethenyl-1-(1-phenylbut-3-enoxy)benzene
CID 166977639
2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene
CID 118325440
2-bromo-4-methoxy-1-pent-4-en-2-yloxybenzene
CID 118325435
2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene
CID 118316335
3-[5-bromo-2-(1-methoxypropan-2-yloxy)phenyl]prop-2-enoic acid
CID 77020753
N-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine
CID 3581077
2-ethenyl-4-fluoro-1-propan-2-yloxybenzene
CID 25197210
(5-bromo-2-propan-2-yloxyphenyl)methyl-prop-2-enylazanium
CID 7390206
1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene
CID 118308830
(1R)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171201592
(1S)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171221129
methyl 5-fluoro-2-pent-4-en-2-yloxybenzoate
CID 118307052

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene?
The IUPAC name of 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene (CID 130287639) is 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene.
What is the SMILES notation for 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene?
The canonical SMILES for 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene is C=CCC(C)Oc1ccc(Br)cc1C=C.
What is the InChIKey of 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene?
The InChIKey is UXJGSQLNLGJHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c1-4-6-10(3)15-13-8-7-12(14)9-11(13)5-2/h4-5,7-10H,1-2,6H2,3H3.
What are the key properties of 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene?
4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene has a molecular weight of 267.17 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene is sourced from PubChem (CID 130287639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).