1-(4-bromophenyl)ethenyl acetate

C10H9BrO2 — CID 102299980

IUPAC1-(4-bromophenyl)ethenyl acetate
SMILESC=C(OC(C)=O)c1ccc(Br)cc1
InChIInChI=1S/C10H9BrO2/c1-7(13-8(2)12)9-3-5-10(11)6-4-9/h3-6H,1H2,2H3
InChIKeyFENOPITURYEMDH-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.98
Rot. Bonds2

About 1-(4-bromophenyl)ethenyl acetate

1-(4-bromophenyl)ethenyl acetate (PubChem CID 102299980) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 1-(4-bromophenyl)ethenyl acetate.

Molecular Properties

Compound Name1-(4-bromophenyl)ethenyl acetate
PubChem CID102299980
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name1-(4-bromophenyl)ethenyl acetate
SMILESC=C(OC(C)=O)c1ccc(Br)cc1
InChIInChI=1S/C10H9BrO2/c1-7(13-8(2)12)9-3-5-10(11)6-4-9/h3-6H,1H2,2H3
InChIKeyFENOPITURYEMDH-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-Phenylethenyl acetate
CID 75153
Ethyl 4-bromobenzoate
CID 22043
Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester
CID 5468859
Benzyl 2-bromopropanoate
CID 298874
2-(4-Bromophenyl)-2-methyl-1,3-dioxolane
CID 614920
1-Bromo-4-(dimethoxymethyl)benzene
CID 688342
4-Bromobenzyl methyl ether
CID 12662296
1-Bromo-4-(diethoxymethyl)benzene
CID 688340
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
Tert-butyl 4-bromobenzoate
CID 11334366
1-((Benzyloxy)methyl)-4-bromobenzene
CID 11254408
1-Bromo-4-(ethoxymethyl)benzene
CID 598187

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)ethenyl acetate?
The IUPAC name of 1-(4-bromophenyl)ethenyl acetate (CID 102299980) is 1-(4-bromophenyl)ethenyl acetate.
What is the SMILES notation for 1-(4-bromophenyl)ethenyl acetate?
The canonical SMILES for 1-(4-bromophenyl)ethenyl acetate is C=C(OC(C)=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)ethenyl acetate?
The InChIKey is FENOPITURYEMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2/c1-7(13-8(2)12)9-3-5-10(11)6-4-9/h3-6H,1H2,2H3.
What are the key properties of 1-(4-bromophenyl)ethenyl acetate?
1-(4-bromophenyl)ethenyl acetate has a molecular weight of 241.08 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)ethenyl acetate is sourced from PubChem (CID 102299980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).