2-(2-bromophenyl)-2-(4-methoxyphenoxy)acetyl chloride

C15H12BrClO3 — CID 163377865

IUPAC2-(2-bromophenyl)-2-(4-methoxyphenoxy)acetyl chloride
SMILESCOc1ccc(OC(C(=O)Cl)c2ccccc2Br)cc1
InChIInChI=1S/C15H12BrClO3/c1-19-10-6-8-11(9-7-10)20-14(15(17)18)12-4-2-3-5-13(12)16/h2-9,14H,1H3
InChIKeyVDNOSIICMLYSCD-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.34
Rot. Bonds5

About 2-(2-bromophenyl)-2-(4-methoxyphenoxy)acetyl chloride

2-(2-bromophenyl)-2-(4-methoxyphenoxy)acetyl chloride (PubChem CID 163377865) has the molecular formula C15H12BrClO3 and a molecular weight of 355.62 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(4-methoxyphenoxy)acetyl chloride.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(4-methoxyphenoxy)acetyl chloride
PubChem CID163377865
Molecular FormulaC15H12BrClO3
Molecular Weight355.62 g/mol
Exact Mass353.97
IUPAC Name2-(2-bromophenyl)-2-(4-methoxyphenoxy)acetyl chloride
SMILESCOc1ccc(OC(C(=O)Cl)c2ccccc2Br)cc1
InChIInChI=1S/C15H12BrClO3/c1-19-10-6-8-11(9-7-10)20-14(15(17)18)12-4-2-3-5-13(12)16/h2-9,14H,1H3
InChIKeyVDNOSIICMLYSCD-UHFFFAOYSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 55503834
2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid
CID 79439722
(2R)-2-(2-bromophenyl)-2-methoxyacetic acid
CID 124585261
1-bromo-2-[chloro-(4-methoxyphenyl)methyl]benzene
CID 63428732
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride
CID 88797101
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide
CID 26004861
(E)-N-[(1S)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9220065
[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011242
N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 43680054
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371563

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(4-methoxyphenoxy)acetyl chloride?
The IUPAC name of 2-(2-bromophenyl)-2-(4-methoxyphenoxy)acetyl chloride (CID 163377865) is 2-(2-bromophenyl)-2-(4-methoxyphenoxy)acetyl chloride.
What is the SMILES notation for 2-(2-bromophenyl)-2-(4-methoxyphenoxy)acetyl chloride?
The canonical SMILES for 2-(2-bromophenyl)-2-(4-methoxyphenoxy)acetyl chloride is COc1ccc(OC(C(=O)Cl)c2ccccc2Br)cc1.
What is the InChIKey of 2-(2-bromophenyl)-2-(4-methoxyphenoxy)acetyl chloride?
The InChIKey is VDNOSIICMLYSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO3/c1-19-10-6-8-11(9-7-10)20-14(15(17)18)12-4-2-3-5-13(12)16/h2-9,14H,1H3.
What are the key properties of 2-(2-bromophenyl)-2-(4-methoxyphenoxy)acetyl chloride?
2-(2-bromophenyl)-2-(4-methoxyphenoxy)acetyl chloride has a molecular weight of 355.62 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(4-methoxyphenoxy)acetyl chloride is sourced from PubChem (CID 163377865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).