3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid

C14H9BrCl2O3 — CID 107306555

IUPAC3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cccc(Br)c1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C14H9BrCl2O3/c15-10-5-2-4-9(14(18)19)13(10)20-7-8-3-1-6-11(16)12(8)17/h1-6H,7H2,(H,18,19)
InChIKeyJZDHKNDBTHIXET-UHFFFAOYSA-N
MW376.03 g/mol
LogP5.03
Rot. Bonds4

About 3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid

3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid (PubChem CID 107306555) has the molecular formula C14H9BrCl2O3 and a molecular weight of 376.03 g/mol. Its IUPAC name is 3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid
PubChem CID107306555
Molecular FormulaC14H9BrCl2O3
Molecular Weight376.03 g/mol
Exact Mass373.91
IUPAC Name3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cccc(Br)c1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C14H9BrCl2O3/c15-10-5-2-4-9(14(18)19)13(10)20-7-8-3-1-6-11(16)12(8)17/h1-6H,7H2,(H,18,19)
InChIKeyJZDHKNDBTHIXET-UHFFFAOYSA-N
XLogP5.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.03
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-[(2-methylphenyl)methoxy]benzoic acid
CID 61391214
3-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 103038113
2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid
CID 115955941
3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 112612002
3-bromo-2-[(3-cyano-2-fluorophenyl)methoxy]benzoic acid
CID 107116283
3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid
CID 65478431
3-bromo-2-(2-hydroxyethoxy)benzoic acid
CID 61391225
3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 115955910
2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 102855411
3-bromo-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 61391092
3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616219
5-bromonaphthalene-1-carboxylic acid;(5-bromonaphthalen-1-yl)methanol
CID 158385324

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid?
The IUPAC name of 3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid (CID 107306555) is 3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid?
The canonical SMILES for 3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid is O=C(O)c1cccc(Br)c1OCc1cccc(Cl)c1Cl.
What is the InChIKey of 3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid?
The InChIKey is JZDHKNDBTHIXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2O3/c15-10-5-2-4-9(14(18)19)13(10)20-7-8-3-1-6-11(16)12(8)17/h1-6H,7H2,(H,18,19).
What are the key properties of 3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid?
3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid has a molecular weight of 376.03 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 107306555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).