2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid

C15H10BrClO4 — CID 11653576

IUPAC2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid
SMILESO=C(O)COc1ccc(Cl)cc1C(=O)c1ccccc1Br
InChIInChI=1S/C15H10BrClO4/c16-12-4-2-1-3-10(12)15(20)11-7-9(17)5-6-13(11)21-8-14(18)19/h1-7H,8H2,(H,18,19)
InChIKeyLYHHFBCJBNGMBD-UHFFFAOYSA-N
MW369.60 g/mol
LogP3.80
Rot. Bonds5

About 2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid

2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid (PubChem CID 11653576) has the molecular formula C15H10BrClO4 and a molecular weight of 369.60 g/mol. Its IUPAC name is 2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid
PubChem CID11653576
Molecular FormulaC15H10BrClO4
Molecular Weight369.60 g/mol
Exact Mass367.95
IUPAC Name2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid
SMILESO=C(O)COc1ccc(Cl)cc1C(=O)c1ccccc1Br
InChIInChI=1S/C15H10BrClO4/c16-12-4-2-1-3-10(12)15(20)11-7-9(17)5-6-13(11)21-8-14(18)19/h1-7H,8H2,(H,18,19)
InChIKeyLYHHFBCJBNGMBD-UHFFFAOYSA-N
XLogP3.80
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.60
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzoyl-4-chlorophenoxy)acetamide
CID 54259407
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
2-[2-(2-bromobenzoyl)-4-methylphenoxy]acetohydrazide
CID 86038173
5-chloro-2-(2-oxopropoxy)benzoic acid
CID 9118654
4-(2-benzoyl-4-chlorophenoxy)butanoic acid
CID 11522599
(5-chloro-2-methoxyphenyl)-(2-ethoxyphenyl)methanone
CID 79020316
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
2-[2-(2-bromo-4-chlorophenoxy)acetyl]oxybenzoic acid
CID 54854905
2-[4-chloro-2-[3-methyl-5-(trifluoromethyl)benzoyl]phenoxy]acetic acid
CID 143206756
2-[4-chloro-2-(3-fluoro-5-methoxybenzoyl)phenoxy]acetic acid
CID 58618193
N-(2-bromophenyl)-2-(4-chloro-2-propanoylphenoxy)acetamide
CID 7993591

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid?
The IUPAC name of 2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid (CID 11653576) is 2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid?
The canonical SMILES for 2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid is O=C(O)COc1ccc(Cl)cc1C(=O)c1ccccc1Br.
What is the InChIKey of 2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid?
The InChIKey is LYHHFBCJBNGMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClO4/c16-12-4-2-1-3-10(12)15(20)11-7-9(17)5-6-13(11)21-8-14(18)19/h1-7H,8H2,(H,18,19).
What are the key properties of 2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid?
2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid has a molecular weight of 369.60 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid is sourced from PubChem (CID 11653576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).