5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid

C14H9BrCl2O3 — CID 65317579

IUPAC5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(Br)ccc1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9BrCl2O3/c15-9-1-4-13(11(6-9)14(18)19)20-7-8-5-10(16)2-3-12(8)17/h1-6H,7H2,(H,18,19)
InChIKeyCIQHGJNRTJTCSF-UHFFFAOYSA-N
MW376.03 g/mol
LogP5.03
Rot. Bonds4

About 5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid

5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid (PubChem CID 65317579) has the molecular formula C14H9BrCl2O3 and a molecular weight of 376.03 g/mol. Its IUPAC name is 5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
PubChem CID65317579
Molecular FormulaC14H9BrCl2O3
Molecular Weight376.03 g/mol
Exact Mass373.91
IUPAC Name5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(Br)ccc1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9BrCl2O3/c15-9-1-4-13(11(6-9)14(18)19)20-7-8-5-10(16)2-3-12(8)17/h1-6H,7H2,(H,18,19)
InChIKeyCIQHGJNRTJTCSF-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

5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
CID 46779761
[5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine
CID 65318162
4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106954818
2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106500719
2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorobenzoic acid
CID 43217717
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid
CID 60711590
2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
CID 65316926
2-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 103046283
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
CID 63459250
5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid
CID 20988301
3-[(2-bromo-4-chlorophenoxy)methyl]-2-fluorobenzoic acid
CID 107119677

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid?
The IUPAC name of 5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid (CID 65317579) is 5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid?
The canonical SMILES for 5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid is O=C(O)c1cc(Br)ccc1OCc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid?
The InChIKey is CIQHGJNRTJTCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2O3/c15-9-1-4-13(11(6-9)14(18)19)20-7-8-5-10(16)2-3-12(8)17/h1-6H,7H2,(H,18,19).
What are the key properties of 5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid?
5-bromo-2-[(2,5-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 5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 65317579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).