2-(4-bromophenoxy)ethyl prop-2-enoate

C11H11BrO3 — CID 141115524

IUPAC2-(4-bromophenoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(Br)cc1
InChIInChI=1S/C11H11BrO3/c1-2-11(13)15-8-7-14-10-5-3-9(12)4-6-10/h2-6H,1,7-8H2
InChIKeyFJNSBECHEQLWKJ-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.56
Rot. Bonds5

About 2-(4-bromophenoxy)ethyl prop-2-enoate

2-(4-bromophenoxy)ethyl prop-2-enoate (PubChem CID 141115524) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is 2-(4-bromophenoxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(4-bromophenoxy)ethyl prop-2-enoate
PubChem CID141115524
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name2-(4-bromophenoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(Br)cc1
InChIInChI=1S/C11H11BrO3/c1-2-11(13)15-8-7-14-10-5-3-9(12)4-6-10/h2-6H,1,7-8H2
InChIKeyFJNSBECHEQLWKJ-UHFFFAOYSA-N
XLogP2.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate
CID 163299706
4-bromoaniline;4-(7-prop-2-enoyloxyheptoxy)benzoic acid
CID 70363903
2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane
CID 145475606
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
CID 162101397
2-(4-bromophenoxy)ethyl (2E,4E)-hexa-2,4-dienoate
CID 55314879
[4-[4-(2-prop-2-enoyloxyethoxy)phenyl]phenyl]boronic acid
CID 162702389
2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate
CID 67393291
2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate
CID 15789891
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)ethyl prop-2-enoate?
The IUPAC name of 2-(4-bromophenoxy)ethyl prop-2-enoate (CID 141115524) is 2-(4-bromophenoxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(4-bromophenoxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(4-bromophenoxy)ethyl prop-2-enoate is C=CC(=O)OCCOc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)ethyl prop-2-enoate?
The InChIKey is FJNSBECHEQLWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c1-2-11(13)15-8-7-14-10-5-3-9(12)4-6-10/h2-6H,1,7-8H2.
What are the key properties of 2-(4-bromophenoxy)ethyl prop-2-enoate?
2-(4-bromophenoxy)ethyl prop-2-enoate has a molecular weight of 271.11 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)ethyl prop-2-enoate is sourced from PubChem (CID 141115524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).