2-(4-bromophenoxy)ethyl 2-(4-chlorophenoxy)acetate

C16H14BrClO4 — CID 2363711

IUPAC2-(4-bromophenoxy)ethyl 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)OCCOc1ccc(Br)cc1
InChIInChI=1S/C16H14BrClO4/c17-12-1-5-14(6-2-12)20-9-10-21-16(19)11-22-15-7-3-13(18)4-8-15/h1-8H,9-11H2
InChIKeyRQSCMGRTNJINJQ-UHFFFAOYSA-N
MW385.64 g/mol
LogP4.10
Rot. Bonds7

About 2-(4-bromophenoxy)ethyl 2-(4-chlorophenoxy)acetate

2-(4-bromophenoxy)ethyl 2-(4-chlorophenoxy)acetate (PubChem CID 2363711) has the molecular formula C16H14BrClO4 and a molecular weight of 385.64 g/mol. Its IUPAC name is 2-(4-bromophenoxy)ethyl 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name2-(4-bromophenoxy)ethyl 2-(4-chlorophenoxy)acetate
PubChem CID2363711
Molecular FormulaC16H14BrClO4
Molecular Weight385.64 g/mol
Exact Mass383.98
IUPAC Name2-(4-bromophenoxy)ethyl 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)OCCOc1ccc(Br)cc1
InChIInChI=1S/C16H14BrClO4/c17-12-1-5-14(6-2-12)20-9-10-21-16(19)11-22-15-7-3-13(18)4-8-15/h1-8H,9-11H2
InChIKeyRQSCMGRTNJINJQ-UHFFFAOYSA-N
XLogP4.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.64
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(4-chlorobenzoyl)amino] 2-(4-bromophenoxy)acetate
CID 30075448
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate
CID 2885364
3-[2-[4-[(4-chlorophenyl)methyl]phenoxy]acetyl]oxypropyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate
CID 3054630
nonyl 2-(4-chlorophenoxy)acetate
CID 91742043
2-(4-bromophenoxy)ethyl 2-(4-chlorobenzoyl)benzoate
CID 2548738
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 153491025
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
2-(3-bromophenoxy)ethyl 2-phenoxyacetate
CID 55313634
2-(4-bromophenoxy)ethyl 2-(2-cyanophenoxy)acetate
CID 5157720
4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 4811581
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)ethyl 2-(4-chlorophenoxy)acetate?
The IUPAC name of 2-(4-bromophenoxy)ethyl 2-(4-chlorophenoxy)acetate (CID 2363711) is 2-(4-bromophenoxy)ethyl 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for 2-(4-bromophenoxy)ethyl 2-(4-chlorophenoxy)acetate?
The canonical SMILES for 2-(4-bromophenoxy)ethyl 2-(4-chlorophenoxy)acetate is O=C(COc1ccc(Cl)cc1)OCCOc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)ethyl 2-(4-chlorophenoxy)acetate?
The InChIKey is RQSCMGRTNJINJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO4/c17-12-1-5-14(6-2-12)20-9-10-21-16(19)11-22-15-7-3-13(18)4-8-15/h1-8H,9-11H2.
What are the key properties of 2-(4-bromophenoxy)ethyl 2-(4-chlorophenoxy)acetate?
2-(4-bromophenoxy)ethyl 2-(4-chlorophenoxy)acetate has a molecular weight of 385.64 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)ethyl 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 2363711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).