(4-bromophenyl)methyl 2,4-dichlorobenzoate

C14H9BrCl2O2 — CID 1218346

IUPAC(4-bromophenyl)methyl 2,4-dichlorobenzoate
SMILESO=C(OCc1ccc(Br)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9BrCl2O2/c15-10-3-1-9(2-4-10)8-19-14(18)12-6-5-11(16)7-13(12)17/h1-7H,8H2
InChIKeyINLMCKPMEJKURI-UHFFFAOYSA-N
MW360.03 g/mol
LogP5.11
Rot. Bonds3

About (4-bromophenyl)methyl 2,4-dichlorobenzoate

(4-bromophenyl)methyl 2,4-dichlorobenzoate (PubChem CID 1218346) has the molecular formula C14H9BrCl2O2 and a molecular weight of 360.03 g/mol. Its IUPAC name is (4-bromophenyl)methyl 2,4-dichlorobenzoate.

Molecular Properties

Compound Name(4-bromophenyl)methyl 2,4-dichlorobenzoate
PubChem CID1218346
Molecular FormulaC14H9BrCl2O2
Molecular Weight360.03 g/mol
Exact Mass357.92
IUPAC Name(4-bromophenyl)methyl 2,4-dichlorobenzoate
SMILESO=C(OCc1ccc(Br)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9BrCl2O2/c15-10-3-1-9(2-4-10)8-19-14(18)12-6-5-11(16)7-13(12)17/h1-7H,8H2
InChIKeyINLMCKPMEJKURI-UHFFFAOYSA-N
XLogP5.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.03
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)methyl 2,4-dichlorobenzoate
CID 962047
(4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate
CID 883580
(4-chlorophenyl)methyl 2-acetamido-5-bromobenzoate
CID 19591123
[4-(hydroxymethyl)phenyl]methyl 4-amino-2-chlorobenzoate
CID 115970023
(3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate
CID 2953632
(4-bromophenyl)methyl 2-fluorobenzoate
CID 2347288
(4-chlorophenyl)methyl 2-bromobenzoate
CID 962049
(4-bromophenyl)methyl 4-amino-2,5-difluorobenzoate
CID 104700330
(4-fluorophenyl)methyl 4-amino-2-chlorobenzoate
CID 61236840
(4-bromophenyl)methyl 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate
CID 4031936
dibenzyl 4-bromobenzene-1,2-dicarboxylate
CID 23134371
(4-bromophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 46663557

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl 2,4-dichlorobenzoate?
The IUPAC name of (4-bromophenyl)methyl 2,4-dichlorobenzoate (CID 1218346) is (4-bromophenyl)methyl 2,4-dichlorobenzoate.
What is the SMILES notation for (4-bromophenyl)methyl 2,4-dichlorobenzoate?
The canonical SMILES for (4-bromophenyl)methyl 2,4-dichlorobenzoate is O=C(OCc1ccc(Br)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (4-bromophenyl)methyl 2,4-dichlorobenzoate?
The InChIKey is INLMCKPMEJKURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2O2/c15-10-3-1-9(2-4-10)8-19-14(18)12-6-5-11(16)7-13(12)17/h1-7H,8H2.
What are the key properties of (4-bromophenyl)methyl 2,4-dichlorobenzoate?
(4-bromophenyl)methyl 2,4-dichlorobenzoate has a molecular weight of 360.03 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl 2,4-dichlorobenzoate is sourced from PubChem (CID 1218346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).