(4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate

C14H9BrCl2O3 — CID 19179126

IUPAC(4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate
SMILESO=C(COc1cc(Cl)ccc1Cl)Oc1ccc(Br)cc1
InChIInChI=1S/C14H9BrCl2O3/c15-9-1-4-11(5-2-9)20-14(18)8-19-13-7-10(16)3-6-12(13)17/h1-7H,8H2
InChIKeyRRVIOERJJMOKKD-UHFFFAOYSA-N
MW376.03 g/mol
LogP4.74
Rot. Bonds4

About (4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate

(4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate (PubChem CID 19179126) has the molecular formula C14H9BrCl2O3 and a molecular weight of 376.03 g/mol. Its IUPAC name is (4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate.

Molecular Properties

Compound Name(4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate
PubChem CID19179126
Molecular FormulaC14H9BrCl2O3
Molecular Weight376.03 g/mol
Exact Mass373.91
IUPAC Name(4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate
SMILESO=C(COc1cc(Cl)ccc1Cl)Oc1ccc(Br)cc1
InChIInChI=1S/C14H9BrCl2O3/c15-9-1-4-11(5-2-9)20-14(18)8-19-13-7-10(16)3-6-12(13)17/h1-7H,8H2
InChIKeyRRVIOERJJMOKKD-UHFFFAOYSA-N
XLogP4.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.03
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylphenyl) 2-(2-bromo-4-chlorophenoxy)acetate
CID 23010692
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
CID 914130
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
(4-chloro-3,5-dimethylphenyl) 2-(4-bromophenoxy)acetate
CID 5119048
(4-chloro-3-methylphenyl) 2-(4-chloro-2-methylphenoxy)acetate
CID 917935
[4-(2-methylbutan-2-yl)phenyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 23010707
(2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate
CID 18272979
(4-bromophenyl) 2-(2-ethoxyphenoxy)acetate
CID 19179036
[4-(2,2-dicyanoethenyl)phenyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 19220048
methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 5312098
(2-oxochromen-7-yl) 2-(2-bromo-4-chlorophenoxy)acetate
CID 7920899
1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene
CID 154157151

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate?
The IUPAC name of (4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate (CID 19179126) is (4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate.
What is the SMILES notation for (4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate?
The canonical SMILES for (4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate is O=C(COc1cc(Cl)ccc1Cl)Oc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate?
The InChIKey is RRVIOERJJMOKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2O3/c15-9-1-4-11(5-2-9)20-14(18)8-19-13-7-10(16)3-6-12(13)17/h1-7H,8H2.
What are the key properties of (4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate?
(4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate has a molecular weight of 376.03 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate is sourced from PubChem (CID 19179126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).