5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid

C14H9Cl3O3 — CID 8707091

IUPAC5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3O3/c15-9-3-4-13(11(5-9)14(18)19)20-7-8-1-2-10(16)6-12(8)17/h1-6H,7H2,(H,18,19)
InChIKeySBWWUUJBJQZCPG-UHFFFAOYSA-N
MW331.58 g/mol
LogP4.92
Rot. Bonds4

About 5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid

5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid (PubChem CID 8707091) has the molecular formula C14H9Cl3O3 and a molecular weight of 331.58 g/mol. Its IUPAC name is 5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
PubChem CID8707091
Molecular FormulaC14H9Cl3O3
Molecular Weight331.58 g/mol
Exact Mass329.96
IUPAC Name5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3O3/c15-9-3-4-13(11(5-9)14(18)19)20-7-8-1-2-10(16)6-12(8)17/h1-6H,7H2,(H,18,19)
InChIKeySBWWUUJBJQZCPG-UHFFFAOYSA-N
XLogP4.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.58
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
CID 46779761
2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorobenzoic acid
CID 43217717
4-[(2-bromo-4-chlorophenoxy)methyl]-3-chlorobenzoic acid
CID 102670133
5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 65317579
5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride
CID 46779766
3-amino-4-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 43379751
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone
CID 106863598
5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid
CID 20988301
5-chloro-2-ethoxybenzoic acid;tungsten
CID 58176486
3-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 20994416
4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid
CID 102663354
4-[(2,4-dichlorophenyl)methoxy]-2-hydroxy-5-nitrobenzoic acid
CID 91687263

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid?
The IUPAC name of 5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid (CID 8707091) is 5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid?
The canonical SMILES for 5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid is O=C(O)c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid?
The InChIKey is SBWWUUJBJQZCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O3/c15-9-3-4-13(11(5-9)14(18)19)20-7-8-1-2-10(16)6-12(8)17/h1-6H,7H2,(H,18,19).
What are the key properties of 5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid?
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid has a molecular weight of 331.58 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 8707091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).