2-[3-[(E)-3-bromoprop-1-enyl]phenoxy]acetate

C11H10BrO3- — CID 21101234

IUPAC2-[3-[(E)-3-bromoprop-1-enyl]phenoxy]acetate
SMILESO=C([O-])COc1cccc(/C=C/CBr)c1
InChIInChI=1S/C11H11BrO3/c12-6-2-4-9-3-1-5-10(7-9)15-8-11(13)14/h1-5,7H,6,8H2,(H,13,14)/p-1/b4-2+
InChIKeyFOXZCBDGQXRFTP-DUXPYHPUSA-M
MW270.10 g/mol
LogP1.22
Rot. Bonds5

About 2-[3-[(E)-3-bromoprop-1-enyl]phenoxy]acetate

2-[3-[(E)-3-bromoprop-1-enyl]phenoxy]acetate (PubChem CID 21101234) has the molecular formula C11H10BrO3- and a molecular weight of 270.10 g/mol. Its IUPAC name is 2-[3-[(E)-3-bromoprop-1-enyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[3-[(E)-3-bromoprop-1-enyl]phenoxy]acetate
PubChem CID21101234
Molecular FormulaC11H10BrO3-
Molecular Weight270.10 g/mol
Exact Mass268.98
IUPAC Name2-[3-[(E)-3-bromoprop-1-enyl]phenoxy]acetate
SMILESO=C([O-])COc1cccc(/C=C/CBr)c1
InChIInChI=1S/C11H11BrO3/c12-6-2-4-9-3-1-5-10(7-9)15-8-11(13)14/h1-5,7H,6,8H2,(H,13,14)/p-1/b4-2+
InChIKeyFOXZCBDGQXRFTP-DUXPYHPUSA-M
XLogP1.22
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-(3-bromophenoxy)acetate
CID 19205570
lithium 2-(3-chlorophenoxy)acetate
CID 19205694
2-(3-phenoxyphenoxy)acetate
CID 22411603
3-(3-bromoprop-1-enyl)benzaldehyde
CID 169475107
3-[(E)-4-bromobut-2-enoxy]benzaldehyde
CID 91871997
(E)-3-(3-ethoxyphenyl)prop-2-en-1-ol
CID 11073969
(E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid
CID 102534265
1-[3-(3-bromoprop-1-enyl)phenyl]-2,2,2-trifluoroethanone
CID 169476265
3-[3-(3-bromoprop-1-enyl)phenyl]-3-oxopropanenitrile
CID 169476108
1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
CID 15662681
2-[3-[2-(5-nitro-2-pyridinyl)ethenyl]phenoxy]acetic acid
CID 126809089
4-(3-propoxyphenyl)but-3-enal
CID 170482159

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-3-bromoprop-1-enyl]phenoxy]acetate?
The IUPAC name of 2-[3-[(E)-3-bromoprop-1-enyl]phenoxy]acetate (CID 21101234) is 2-[3-[(E)-3-bromoprop-1-enyl]phenoxy]acetate.
What is the SMILES notation for 2-[3-[(E)-3-bromoprop-1-enyl]phenoxy]acetate?
The canonical SMILES for 2-[3-[(E)-3-bromoprop-1-enyl]phenoxy]acetate is O=C([O-])COc1cccc(/C=C/CBr)c1.
What is the InChIKey of 2-[3-[(E)-3-bromoprop-1-enyl]phenoxy]acetate?
The InChIKey is FOXZCBDGQXRFTP-DUXPYHPUSA-M. The full InChI is InChI=1S/C11H11BrO3/c12-6-2-4-9-3-1-5-10(7-9)15-8-11(13)14/h1-5,7H,6,8H2,(H,13,14)/p-1/b4-2+.
What are the key properties of 2-[3-[(E)-3-bromoprop-1-enyl]phenoxy]acetate?
2-[3-[(E)-3-bromoprop-1-enyl]phenoxy]acetate has a molecular weight of 270.10 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-3-bromoprop-1-enyl]phenoxy]acetate is sourced from PubChem (CID 21101234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).