1-bromo-4-(4-prop-2-enoxyphenyl)benzene

C15H13BrO — CID 71426317

IUPAC1-bromo-4-(4-prop-2-enoxyphenyl)benzene
SMILESC=CCOc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13BrO/c1-2-11-17-15-9-5-13(6-10-15)12-3-7-14(16)8-4-12/h2-10H,1,11H2
InChIKeyIUGWTGTWXBSJBT-UHFFFAOYSA-N
MW289.17 g/mol
LogP4.68
Rot. Bonds4

About 1-bromo-4-(4-prop-2-enoxyphenyl)benzene

1-bromo-4-(4-prop-2-enoxyphenyl)benzene (PubChem CID 71426317) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-bromo-4-(4-prop-2-enoxyphenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(4-prop-2-enoxyphenyl)benzene
PubChem CID71426317
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name1-bromo-4-(4-prop-2-enoxyphenyl)benzene
SMILESC=CCOc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13BrO/c1-2-11-17-15-9-5-13(6-10-15)12-3-7-14(16)8-4-12/h2-10H,1,11H2
InChIKeyIUGWTGTWXBSJBT-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 54.68
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-(4-prop-2-enoxyphenyl)phenol
CID 14817245
N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide
CID 54790852
1-(bromomethoxy)-4-prop-2-enoxybenzene
CID 23452925
1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene
CID 67815398
N-[2-[4-(4-bromophenyl)phenoxy]ethyl]prop-2-en-1-amine
CID 63516544
1-ethynyl-4-(4-prop-2-enoxyphenyl)benzene
CID 160738690
2-(4-bromophenyl)-4-[(4-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3451886
1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene
CID 89211050
1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene
CID 22556356
1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene
CID 139773227
CID 174846151
CID 174846151
N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925636

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-prop-2-enoxyphenyl)benzene?
The IUPAC name of 1-bromo-4-(4-prop-2-enoxyphenyl)benzene (CID 71426317) is 1-bromo-4-(4-prop-2-enoxyphenyl)benzene.
What is the SMILES notation for 1-bromo-4-(4-prop-2-enoxyphenyl)benzene?
The canonical SMILES for 1-bromo-4-(4-prop-2-enoxyphenyl)benzene is C=CCOc1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-(4-prop-2-enoxyphenyl)benzene?
The InChIKey is IUGWTGTWXBSJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO/c1-2-11-17-15-9-5-13(6-10-15)12-3-7-14(16)8-4-12/h2-10H,1,11H2.
What are the key properties of 1-bromo-4-(4-prop-2-enoxyphenyl)benzene?
1-bromo-4-(4-prop-2-enoxyphenyl)benzene has a molecular weight of 289.17 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-prop-2-enoxyphenyl)benzene is sourced from PubChem (CID 71426317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).