3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid

C14H9Cl3O3 — CID 115955910

IUPAC3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cccc(Cl)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H9Cl3O3/c15-10-4-2-5-11(16)9(10)7-20-13-8(14(18)19)3-1-6-12(13)17/h1-6H,7H2,(H,18,19)
InChIKeyUXFZKQFBUNXDOV-UHFFFAOYSA-N
MW331.58 g/mol
LogP4.92
Rot. Bonds4

About 3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid

3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid (PubChem CID 115955910) has the molecular formula C14H9Cl3O3 and a molecular weight of 331.58 g/mol. Its IUPAC name is 3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
PubChem CID115955910
Molecular FormulaC14H9Cl3O3
Molecular Weight331.58 g/mol
Exact Mass329.96
IUPAC Name3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cccc(Cl)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H9Cl3O3/c15-10-4-2-5-11(16)9(10)7-20-13-8(14(18)19)3-1-6-12(13)17/h1-6H,7H2,(H,18,19)
InChIKeyUXFZKQFBUNXDOV-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

3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 114930306
3-chloro-2-(pyridin-4-ylmethoxy)benzoic acid
CID 112612042
3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid
CID 112612027
3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 112612002
3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616219
3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid
CID 115955919
2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid
CID 4126924
3-chloro-2-heptoxybenzoic acid
CID 112611877
3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid
CID 115955877
2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid
CID 115955941
3-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid
CID 102666745
3-chloro-2-(cyclobutylmethoxy)benzoic acid
CID 112611920

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid?
The IUPAC name of 3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid (CID 115955910) is 3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid?
The canonical SMILES for 3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid is O=C(O)c1cccc(Cl)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid?
The InChIKey is UXFZKQFBUNXDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O3/c15-10-4-2-5-11(16)9(10)7-20-13-8(14(18)19)3-1-6-12(13)17/h1-6H,7H2,(H,18,19).
What are the key properties of 3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid?
3-chloro-2-[(2,6-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 3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 115955910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).