4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid

C14H10BrClO3 — CID 43364863

IUPAC4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid
SMILESCc1cc(Cl)ccc1Oc1cc(Br)ccc1C(=O)O
InChIInChI=1S/C14H10BrClO3/c1-8-6-10(16)3-5-12(8)19-13-7-9(15)2-4-11(13)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyLGRZBJPZMLFBFB-UHFFFAOYSA-N
MW341.59 g/mol
LogP4.90
Rot. Bonds3

About 4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid

4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid (PubChem CID 43364863) has the molecular formula C14H10BrClO3 and a molecular weight of 341.59 g/mol. Its IUPAC name is 4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid.

Molecular Properties

Compound Name4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid
PubChem CID43364863
Molecular FormulaC14H10BrClO3
Molecular Weight341.59 g/mol
Exact Mass339.95
IUPAC Name4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid
SMILESCc1cc(Cl)ccc1Oc1cc(Br)ccc1C(=O)O
InChIInChI=1S/C14H10BrClO3/c1-8-6-10(16)3-5-12(8)19-13-7-9(15)2-4-11(13)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyLGRZBJPZMLFBFB-UHFFFAOYSA-N
XLogP4.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(5-chloro-2-cyanophenoxy)benzoic acid
CID 63082119
3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid
CID 114288885
1-[4-bromo-2-(5-chloro-2-methylphenoxy)phenyl]ethanone
CID 82971454
4-bromo-2-(4-chloro-2-methylphenoxy)aniline
CID 65342319
2-(4-bromophenoxy)-4-chlorobenzoic acid
CID 55225362
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
CID 63459250
4-bromo-2-(5-fluoro-2-methylphenoxy)benzoic acid
CID 102987538
4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104707938
5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892706
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
4-bromo-2-(5-bromo-2-cyanophenoxy)benzoic acid
CID 114907004
1-[5-bromo-2-(5-chloro-2-methylphenoxy)phenyl]ethanone
CID 82971527

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid?
The IUPAC name of 4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid (CID 43364863) is 4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid.
What is the SMILES notation for 4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid?
The canonical SMILES for 4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid is Cc1cc(Cl)ccc1Oc1cc(Br)ccc1C(=O)O.
What is the InChIKey of 4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid?
The InChIKey is LGRZBJPZMLFBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO3/c1-8-6-10(16)3-5-12(8)19-13-7-9(15)2-4-11(13)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid?
4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid has a molecular weight of 341.59 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid is sourced from PubChem (CID 43364863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).