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

C14H9Cl3O3 — CID 106500719

IUPAC2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(OCc2cc(Cl)ccc2Cl)ccc1Cl
InChIInChI=1S/C14H9Cl3O3/c15-9-1-3-12(16)8(5-9)7-20-10-2-4-13(17)11(6-10)14(18)19/h1-6H,7H2,(H,18,19)
InChIKeyKWNAIYBNYVUZES-UHFFFAOYSA-N
MW331.58 g/mol
LogP4.92
Rot. Bonds4

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

2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid (PubChem CID 106500719) has the molecular formula C14H9Cl3O3 and a molecular weight of 331.58 g/mol. Its IUPAC name is 2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
PubChem CID106500719
Molecular FormulaC14H9Cl3O3
Molecular Weight331.58 g/mol
Exact Mass329.96
IUPAC Name2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(OCc2cc(Cl)ccc2Cl)ccc1Cl
InChIInChI=1S/C14H9Cl3O3/c15-9-1-3-12(16)8(5-9)7-20-10-2-4-13(17)11(6-10)14(18)19/h1-6H,7H2,(H,18,19)
InChIKeyKWNAIYBNYVUZES-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

2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 90329310
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106954818
5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid
CID 106500714
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 106500788
5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 65317579
2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106500553
2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid
CID 106500475
5-(3-aminopropoxy)-2-chlorobenzoic acid
CID 106500800
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone
CID 91871409

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid?
The IUPAC name of 2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid (CID 106500719) is 2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid is O=C(O)c1cc(OCc2cc(Cl)ccc2Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid?
The InChIKey is KWNAIYBNYVUZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O3/c15-9-1-3-12(16)8(5-9)7-20-10-2-4-13(17)11(6-10)14(18)19/h1-6H,7H2,(H,18,19).
What are the key properties of 2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid?
2-chloro-5-[(2,5-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 2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 106500719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).